CID 134812306

Oa-pc

Structural Information

Molecular Formula
C35H67NO10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC(=O)O
InChI
InChI=1S/C35H66NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-34(39)43-30-32(31-45-47(41,42)44-29-28-36(2,3)4)46-35(40)27-24-21-18-19-22-25-33(37)38/h12-13,32H,5-11,14-31H2,1-4H3,(H-,37,38,41,42)/p+1/b13-12-/t32-/m1/s1
InChIKey
BVQCPQPUIRRUOG-RJPFEDOUSA-O
Compound name
2-[[(2R)-2-(8-carboxyoctanoyloxy)-3-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

692.45026 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 693.45754 264.7
[M+Na]+ 715.43948 266.8
[M-H]- 691.44298 264.0
[M+NH4]+ 710.48408 274.1
[M+K]+ 731.41342 266.6
[M+H-H2O]+ 675.44752 250.3
[M+HCOO]- 737.44846 268.9
[M+CH3COO]- 751.46411 269.4
[M+Na-2H]- 713.42493 246.1
[M]+ 692.44971 262.8
[M]- 692.45081 262.8
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.