CID 22328

Pentadecylcyclohexane

Structural Information

Molecular Formula

C₂₁H₄₂

SMILES

CCCCCCCCCCCCCCCC1CCCCC1

InChI

InChI=1S/C21H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h21H,2-20H2,1H3

InChIKey

ZNUABQHWFGTOCO-UHFFFAOYSA-N

Compound name

pentadecylcyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 375
Patents: 294.32864 Da
Monoisotopic Mass: 11.1
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]+	295.33592	183.9
[M+Na]+	317.31786	183.0
[M-H]-	293.32136	183.9
[M+NH4]+	312.36246	199.0
[M+K]+	333.29180	178.8
[M+H-H2O]+	277.32590	176.0
[M+HCOO]-	339.32684	200.0
[M+CH3COO]-	353.34249	208.9
[M+Na-2H]-	315.30331	182.5
[M]+	294.32809	183.8
[M]-	294.32919	183.8

Literature stripe

literature stripe

Patent stripe

patents stripe