CID 12534

Tricosane

Structural Information

Molecular Formula

C₂₃H₄₈

SMILES

CCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3

InChIKey

FIGVVZUWCLSUEI-UHFFFAOYSA-N

Compound name

tricosane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 44
References: 10358
Patents: 324.3756 Da
Monoisotopic Mass: 12.1
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]+	325.38288	195.6
[M+Na]+	347.36482	195.8
[M-H]-	323.36832	192.6
[M+NH4]+	342.40942	210.2
[M+K]+	363.33876	191.1
[M+H-H2O]+	307.37286	188.1
[M+HCOO]-	369.37380	213.7
[M+CH3COO]-	383.38945	218.6
[M+Na-2H]-	345.35027	193.6
[M]+	324.37505	203.4
[M]-	324.37615	203.4

Literature stripe

literature stripe

Patent stripe

patents stripe