PubChemLite - Ps(16:0/14:1(9z)) (C36H68NO10P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C36H68NO10P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(38)44-29-32(30-45-48(42,43)46-31-33(37)36(40)41)47-35(39)28-26-24-22-20-17-14-12-10-8-6-4-2/h10,12,32-33H,3-9,11,13-31,37H2,1-2H3,(H,40,41)(H,42,43)/b12-10-/t32-,33+/m1/s1

InChIKey

KFCGUMOYEPTFQZ-IFXDCNQFSA-N

Compound name

(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]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]+	706.46535	266.7
[M+Na]+	728.44729	270.0
[M+NH4]+	723.49189	273.6
[M+K]+	744.42123	270.6
[M-H]-	704.45079	262.4
[M+Na-2H]-	726.43274	268.5
[M]+	705.45752	267.0
[M]-	705.45862	267.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

706.46535

266.7

[M+Na]+

728.44729

270.0

[M+NH4]+

723.49189

273.6

[M+K]+

744.42123

270.6

[M-H]-

704.45079

262.4

[M+Na-2H]-

726.43274

268.5

[M]+

705.45752

267.0

[M]-

705.45862

267.0

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

Ps(16:0/14:1(9z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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