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

3
Annotation Hits: 0
References: 8
Patents: 354.18073 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	355.18801	190.2
[M+Na]+	377.16995	191.8
[M-H]-	353.17345	181.1
[M+NH4]+	372.21455	186.6
[M+K]+	393.14389	190.5
[M+H-H2O]+	337.17799	181.8
[M+HCOO]-	399.17893	197.2
[M+CH3COO]-	413.19458	207.3
[M+Na-2H]-	375.15540	186.7
[M]+	354.18018	184.2
[M]-	354.18128	184.2

Literature stripe

literature stripe

Patent stripe

patents stripe