CID 131822339

Pa(8:0/a-21:0)

Structural Information

Molecular Formula
C32H63O8P
SMILES
CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C32H63O8P/c1-4-6-7-18-22-25-31(33)38-27-30(28-39-41(35,36)37)40-32(34)26-23-20-17-15-13-11-9-8-10-12-14-16-19-21-24-29(3)5-2/h29-30H,4-28H2,1-3H3,(H2,35,36,37)/t29?,30-/m1/s1
InChIKey
ZMQTVADMHCJORR-BDCODIICSA-N
Compound name
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] 18-methylicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

606.4261 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.43338 250.6
[M+Na]+ 629.41532 252.8
[M-H]- 605.41882 243.0
[M+NH4]+ 624.45992 256.2
[M+K]+ 645.38926 253.5
[M+H-H2O]+ 589.42336 242.2
[M+HCOO]- 651.42430 251.5
[M+CH3COO]- 665.43995 260.3
[M+Na-2H]- 627.40077 232.5
[M]+ 606.42555 249.1
[M]- 606.42665 249.1
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.