CID 109682

68171-38-0

Structural Information

Molecular Formula

C₂₁H₄₂O₃

SMILES

CC(C)CCCCCCCCCCCCCCC(=O)OCC(C)O

InChI

InChI=1S/C21H42O3/c1-19(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-21(23)24-18-20(3)22/h19-20,22H,4-18H2,1-3H3

InChIKey

BJRXGOFKVBOFCO-UHFFFAOYSA-N

Compound name

2-hydroxypropyl 16-methylheptadecanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5338
Patents: 342.3134 Da
Monoisotopic Mass: 8.0
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]+	343.32068	197.2
[M+Na]+	365.30262	197.4
[M-H]-	341.30612	193.4
[M+NH4]+	360.34722	209.9
[M+K]+	381.27656	194.6
[M+H-H2O]+	325.31066	190.1
[M+HCOO]-	387.31160	212.4
[M+CH3COO]-	401.32725	216.2
[M+Na-2H]-	363.28807	191.9
[M]+	342.31285	203.8
[M]-	342.31395	203.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe