CID 52929750

1-dodecanoyl-glycero-3-phosphate

Structural Information

Molecular Formula
C15H31O7P
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C15H31O7P/c1-2-3-4-5-6-7-8-9-10-11-15(17)21-12-14(16)13-22-23(18,19)20/h14,16H,2-13H2,1H3,(H2,18,19,20)/t14-/m1/s1
InChIKey
STTKJLVEXMKLNA-CQSZACIVSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

354.18073 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18801 185.8
[M+Na]+ 377.16995 188.7
[M+NH4]+ 372.21455 193.7
[M+K]+ 393.14389 189.5
[M-H]- 353.17345 184.2
[M+Na-2H]- 375.15540 181.6
[M]+ 354.18018 183.3
[M]- 354.18128 183.3
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