CID 52929762

1-(11z-docosenoyl)-glycero-3-phosphate

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O

InChI

InChI=1S/C25H49O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h11-12,24,26H,2-10,13-23H2,1H3,(H2,28,29,30)/b12-11-/t24-/m1/s1

InChIKey

SNGZFCPKZNNZFT-FJIRUFBNSA-N

Compound name

[(2R)-2-hydroxy-3-phosphonooxypropyl] (Z)-docos-11-enoate

Related CIDs

2D Structure

1
Annotation Hits: 0
References: 2
Patents: 492.3216 Da
Monoisotopic Mass: 7.4
XlogP (predicted)

Profile

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]+	493.32888	221.5
[M+Na]+	515.31082	223.4
[M-H]-	491.31432	212.5
[M+NH4]+	510.35542	221.0
[M+K]+	531.28476	220.3
[M+H-H2O]+	475.31886	211.5
[M+HCOO]-	537.31980	228.4
[M+CH3COO]-	551.33545	235.0
[M+Na-2H]-	513.29627	205.0
[M]+	492.32105	217.8
[M]-	492.32215	217.8

Literature stripe

Patent stripe