CID 17900

Nonylcyclohexane

Structural Information

Molecular Formula

C₁₅H₃₀

SMILES

CCCCCCCCCC1CCCCC1

InChI

InChI=1S/C15H30/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h15H,2-14H2,1H3

InChIKey

CLMFECCMAVQYQA-UHFFFAOYSA-N

Compound name

nonylcyclohexane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 917
Patents: 210.23476 Da
Monoisotopic Mass: 7.8
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]+	211.24204	157.1
[M+Na]+	233.22398	158.8
[M-H]-	209.22748	158.4
[M+NH4]+	228.26858	175.7
[M+K]+	249.19792	156.1
[M+H-H2O]+	193.23202	150.5
[M+HCOO]-	255.23296	175.2
[M+CH3COO]-	269.24861	190.8
[M+Na-2H]-	231.20943	159.0
[M]+	210.23421	154.8
[M]-	210.23531	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe