CID 3084429

12-tricosanol

Structural Information

Molecular Formula

C₂₃H₄₈O

SMILES

CCCCCCCCCCCC(CCCCCCCCCCC)O

InChI

InChI=1S/C23H48O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3

InChIKey

PFMNFSXMCRSYMU-UHFFFAOYSA-N

Compound name

tricosan-12-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 135
Patents: 340.3705 Da
Monoisotopic Mass: 10.8
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]+	341.377776	200.2
[M+Na]+	363.359718	199.7
[M-H]-	339.363224	195.9
[M+NH4]+	358.404323	213.3
[M+K]+	379.333658	195.0
[M+H-H2O]+	323.367760	192.8
[M+HCOO]-	385.368701	216.0
[M+CH3COO]-	399.384351	218.3
[M+Na-2H]-	361.345166	196.3
[M]+	340.36995142	206.8
[M]-	340.37104858	206.8

Literature stripe

literature stripe

Patent stripe

patents stripe