CID 131822471

Pa(i-14:0/i-13:0)

Structural Information

Molecular Formula
C30H59O8P
SMILES
CC(C)CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCC(C)C
InChI
InChI=1S/C30H59O8P/c1-26(2)20-16-12-8-5-6-10-14-18-22-29(31)36-24-28(25-37-39(33,34)35)38-30(32)23-19-15-11-7-9-13-17-21-27(3)4/h26-28H,5-25H2,1-4H3,(H2,33,34,35)/t28-/m1/s1
InChIKey
USCWOXSSUDYCMH-MUUNZHRXSA-N
Compound name
[(2R)-2-(11-methyldodecanoyloxy)-3-phosphonooxypropyl] 12-methyltridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

578.3948 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.40208 243.1
[M+Na]+ 601.38402 246.2
[M-H]- 577.38752 237.8
[M+NH4]+ 596.42862 250.3
[M+K]+ 617.35796 246.6
[M+H-H2O]+ 561.39206 235.6
[M+HCOO]- 623.39300 242.5
[M+CH3COO]- 637.40865 255.5
[M+Na-2H]- 599.36947 226.6
[M]+ 578.39425 241.8
[M]- 578.39535 241.8
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.