CID 101721974

Lysophosphatidylcholine 0:0/8:0

Structural Information

Molecular Formula
C16H35NO7P
SMILES
CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C16H34NO7P/c1-5-6-7-8-9-10-16(19)24-15(13-18)14-23-25(20,21)22-12-11-17(2,3)4/h15,18H,5-14H2,1-4H3/p+1/t15-/m1/s1
InChIKey
JUUIDMXSEXFSAB-OAHLLOKOSA-O
Compound name
2-[hydroxy-[(2R)-3-hydroxy-2-octanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

384.21512 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22240 196.7
[M+Na]+ 407.20434 201.4
[M-H]- 383.20784 196.1
[M+NH4]+ 402.24894 200.5
[M+K]+ 423.17828 193.7
[M+H-H2O]+ 367.21238 183.0
[M+HCOO]- 429.21332 211.7
[M+CH3COO]- 443.22897 212.9
[M+Na-2H]- 405.18979 185.0
[M]+ 384.21457 194.0
[M]- 384.21567 194.0
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

patents stripe