CID 9547171

1,2-dilauroyl-sn-glycero-3-phosphate

Structural Information

Molecular Formula
C27H53O8P
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C27H53O8P/c1-3-5-7-9-11-13-15-17-19-21-26(28)33-23-25(24-34-36(30,31)32)35-27(29)22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,30,31,32)/t25-/m1/s1
InChIKey
OKLASJZQBDJAPH-RUZDIDTESA-N
Compound name
[(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

858
Patents

536.3478 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.35508 233.6
[M+Na]+ 559.33702 236.2
[M-H]- 535.34052 226.4
[M+NH4]+ 554.38162 237.6
[M+K]+ 575.31096 234.2
[M+H-H2O]+ 519.34506 225.2
[M+HCOO]- 581.34600 238.9
[M+CH3COO]- 595.36165 245.6
[M+Na-2H]- 557.32247 217.0
[M]+ 536.34725 231.7
[M]- 536.34835 231.7
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

patents stripe