CID 133279

1,2-dilauroylphosphatidic acid

Structural Information

Molecular Formula
C27H53O8P
SMILES
C(CCCCCCC(=O)O)CCCCCC(CCCCCCCCCCCC(=O)O)COP(=O)(O)O
InChI
InChI=1S/C27H53O8P/c28-26(29)22-18-14-10-6-2-1-4-8-12-16-20-25(24-35-36(32,33)34)21-17-13-9-5-3-7-11-15-19-23-27(30)31/h25H,1-24H2,(H,28,29)(H,30,31)(H2,32,33,34)
InChIKey
WRGYPFCRNCXHJO-UHFFFAOYSA-N
Compound name
13-(phosphonooxymethyl)hexacosanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

536.3478 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.35508 231.9
[M+Na]+ 559.33702 233.5
[M+NH4]+ 554.38162 234.8
[M+K]+ 575.31096 232.0
[M-H]- 535.34052 223.7
[M+Na-2H]- 557.32247 234.3
[M]+ 536.34725 229.8
[M]- 536.34835 229.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.