CID 53798634

54392-26-6

Structural Information

Molecular Formula

SMILES

CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](CO)[C@@H]1[C@@H]([C@H](CO1)O)O

InChI

InChI=1S/C24H46O6/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(27)30-21(17-25)24-23(28)20(26)18-29-24/h19-21,23-26,28H,3-18H2,1-2H3/t20-,21+,23+,24+/m0/s1

InChIKey

FGUZFFWTBWJBIL-XWVZOOPGSA-N

Compound name

[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 16-methylheptadecanoate

Related CIDs

2D Structure

2
Annotation Hits: 1
References: 15473
Patents: 430.32944 Da
Monoisotopic Mass: 6.1
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]+	431.33672	216.1
[M+Na]+	453.31866	214.4
[M-H]-	429.32216	213.1
[M+NH4]+	448.36326	224.0
[M+K]+	469.29260	212.1
[M+H-H2O]+	413.32670	208.9
[M+HCOO]-	475.32764	226.2
[M+CH3COO]-	489.34329	225.0
[M+Na-2H]-	451.30411	207.3
[M]+	430.32889	220.9
[M]-	430.32999	220.9

Literature stripe

Patent stripe