CID 46879024

Mg(15:0/0:0/0:0)

Structural Information

Molecular Formula

C₁₈H₃₆O₄

SMILES

CCCCCCCCCCCCCCC(=O)OC[C@H](CO)O

InChI

InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h17,19-20H,2-16H2,1H3/t17-/m0/s1

InChIKey

QSKPZDMBULYMDQ-KRWDZBQOSA-N

Compound name

[(2S)-2,3-dihydroxypropyl] pentadecanoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 5
References: 418
Patents: 316.26135 Da
Monoisotopic Mass: 5.8
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]+	317.268626	186.0
[M+Na]+	339.250568	187.1
[M-H]-	315.254074	181.2
[M+NH4]+	334.295173	199.0
[M+K]+	355.224508	184.2
[M+H-H2O]+	299.258610	179.2
[M+HCOO]-	361.259551	201.9
[M+CH3COO]-	375.275201	205.9
[M+Na-2H]-	337.236016	183.1
[M]+	316.26080142	191.7
[M]-	316.26189858	191.7

Literature stripe

literature stripe

Patent stripe

patents stripe