CID 131821859

Pa(10:0/17:0)

Structural Information

Molecular Formula
C30H59O8P
SMILES
CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C30H59O8P/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-30(32)38-28(27-37-39(33,34)35)26-36-29(31)24-22-20-18-10-8-6-4-2/h28H,3-27H2,1-2H3,(H2,33,34,35)/t28-/m1/s1
InChIKey
PFOQLRFDXOUOJU-MUUNZHRXSA-N
Compound name
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

578.3948 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.40208 244.2
[M+Na]+ 601.38402 246.2
[M-H]- 577.38752 235.8
[M+NH4]+ 596.42862 248.1
[M+K]+ 617.35796 245.5
[M+H-H2O]+ 561.39206 235.4
[M+HCOO]- 623.39300 248.2
[M+CH3COO]- 637.40865 254.0
[M+Na-2H]- 599.36947 226.3
[M]+ 578.39425 242.3
[M]- 578.39535 242.3
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.