CID 131822507

Pa(i-20:0/i-15:0)

Structural Information

Molecular Formula
C38H75O8P
SMILES
CC(C)CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C38H75O8P/c1-34(2)28-24-20-16-12-9-7-5-6-8-10-14-18-22-26-30-37(39)44-32-36(33-45-47(41,42)43)46-38(40)31-27-23-19-15-11-13-17-21-25-29-35(3)4/h34-36H,5-33H2,1-4H3,(H2,41,42,43)/t36-/m1/s1
InChIKey
KAEBUKAMKZUZMA-PSXMRANNSA-N
Compound name
[(2R)-2-(13-methyltetradecanoyloxy)-3-phosphonooxypropyl] 18-methylnonadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

690.51996 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 691.52724 270.3
[M+Na]+ 713.50918 272.0
[M-H]- 689.51268 261.9
[M+NH4]+ 708.55378 277.3
[M+K]+ 729.48312 275.6
[M+H-H2O]+ 673.51722 261.9
[M+HCOO]- 735.51816 266.4
[M+CH3COO]- 749.53381 277.2
[M+Na-2H]- 711.49463 250.4
[M]+ 690.51941 269.4
[M]- 690.52051 269.4
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.