CID 52924060

Lpc(22:2)

Structural Information

Molecular Formula
C30H59NO7P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C30H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h9-10,12-13,29,32H,5-8,11,14-28H2,1-4H3/p+1/b10-9-,13-12-/t29-/m1/s1
InChIKey
YMGXOQLWSYJFSD-FALRGZJFSA-O
Compound name
2-[[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

576.4029 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.41018 242.9
[M+Na]+ 599.39212 246.0
[M-H]- 575.39562 238.6
[M+NH4]+ 594.43672 246.8
[M+K]+ 615.36606 243.2
[M+H-H2O]+ 559.40016 227.4
[M+HCOO]- 621.40110 253.8
[M+CH3COO]- 635.41675 250.2
[M+Na-2H]- 597.37757 225.8
[M]+ 576.40235 238.9
[M]- 576.40345 238.9
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.