CID 52925138

1-(9z-nonadecenoyl)-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C24H48NO7P
SMILES
CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C24H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25/h10-11,23,26H,2-9,12-22,25H2,1H3,(H,28,29)/b11-10-/t23-/m1/s1
InChIKey
QXOXODCLNBXHKD-ZXEGGCGDSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-nonadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.31683 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.32411 221.9
[M+Na]+ 516.30605 225.9
[M-H]- 492.30955 215.5
[M+NH4]+ 511.35065 221.7
[M+K]+ 532.27999 220.9
[M+H-H2O]+ 476.31409 211.6
[M+HCOO]- 538.31503 228.1
[M+CH3COO]- 552.33068 239.2
[M+Na-2H]- 514.29150 205.9
[M]+ 493.31628 216.1
[M]- 493.31738 216.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.