PubChemLite - Ps(14:1(9z)/15:0) (C35H66NO10P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OC[C@@H](C(=O)O)N

InChI

InChI=1S/C35H66NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(38)46-31(29-44-47(41,42)45-30-32(36)35(39)40)28-43-33(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,31-32H,3-9,11,13-30,36H2,1-2H3,(H,39,40)(H,41,42)/b12-10-/t31-,32+/m1/s1

InChIKey

VIHNALDIKAZKPR-KYQUVBTASA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-pentadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	692.44972	264.1
[M+Na]+	714.43166	267.2
[M-H]-	690.43516	261.2
[M+NH4]+	709.47626	271.2
[M+K]+	730.40560	267.3
[M+H-H2O]+	674.43970	254.8
[M+HCOO]-	736.44064	260.0
[M+CH3COO]-	750.45629	275.7
[M+Na-2H]-	712.41711	245.0
[M]+	691.44189	260.7
[M]-	691.44299	260.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

692.44972

264.1

[M+Na]+

714.43166

267.2

[M-H]-

690.43516

261.2

[M+NH4]+

709.47626

271.2

[M+K]+

730.40560

267.3

[M+H-H2O]+

674.43970

254.8

[M+HCOO]-

736.44064

260.0

[M+CH3COO]-

750.45629

275.7

[M+Na-2H]-

712.41711

245.0

[M]+

691.44189

260.7

[M]-

691.44299

260.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Ps(14:1(9z)/15:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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