CID 131822468

Pa(i-14:0/a-15:0)

Structural Information

Molecular Formula
C32H63O8P
SMILES
CCC(C)CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C32H63O8P/c1-5-29(4)23-19-15-11-7-9-13-17-21-25-32(34)40-30(27-39-41(35,36)37)26-38-31(33)24-20-16-12-8-6-10-14-18-22-28(2)3/h28-30H,5-27H2,1-4H3,(H2,35,36,37)/t29?,30-/m1/s1
InChIKey
SCKGJCRSPROYAL-BDCODIICSA-N
Compound name
[(2R)-1-(12-methyltridecanoyloxy)-3-phosphonooxypropan-2-yl] 12-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

606.4261 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.43338 250.1
[M+Na]+ 629.41532 252.8
[M-H]- 605.41882 244.0
[M+NH4]+ 624.45992 257.2
[M+K]+ 645.38926 254.0
[M+H-H2O]+ 589.42336 242.3
[M+HCOO]- 651.42430 248.6
[M+CH3COO]- 665.43995 261.0
[M+Na-2H]- 627.40077 232.7
[M]+ 606.42555 248.8
[M]- 606.42665 248.8
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.