PubChemLite - Ps(14:1(9z)/14:1(9z)) (C34H62NO10P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C34H62NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(36)42-27-30(28-43-46(40,41)44-29-31(35)34(38)39)45-33(37)26-24-22-20-18-16-14-12-10-8-6-4-2/h9-12,30-31H,3-8,13-29,35H2,1-2H3,(H,38,39)(H,40,41)/b11-9-,12-10-/t30-,31+/m1/s1

InChIKey

BPFJDFFAZFFCBH-QPBIGPORSA-N

Compound name

(2S)-2-amino-3-[[(2R)-2,3-bis[[(Z)-tetradec-9-enoyl]oxy]propoxy]-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]+	676.41841	257.6
[M+Na]+	698.40035	261.6
[M+NH4]+	693.44495	264.5
[M+K]+	714.37429	261.7
[M-H]-	674.40385	254.7
[M+Na-2H]-	696.38580	260.5
[M]+	675.41058	258.3
[M]-	675.41168	258.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

676.41841

257.6

[M+Na]+

698.40035

261.6

[M+NH4]+

693.44495

264.5

[M+K]+

714.37429

261.7

[M-H]-

674.40385

254.7

[M+Na-2H]-

696.38580

260.5

[M]+

675.41058

258.3

[M]-

675.41168

258.3

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)/14:1(9z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe