CID 4711890

N-(3-methylcyclohexyl)aniline

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CC1CCCC(C1)NC2=CC=CC=C2

InChI

InChI=1S/C13H19N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3

InChIKey

PGDVRULABVSJJS-UHFFFAOYSA-N

Compound name

N-(3-methylcyclohexyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 189.15175 Da
Monoisotopic Mass: 4.2
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]+	190.15903	144.9
[M+Na]+	212.14097	157.5
[M+NH4]+	207.18557	155.1
[M+K]+	228.11491	149.0
[M-H]-	188.14447	150.9
[M+Na-2H]-	210.12642	153.7
[M]+	189.15120	148.4
[M]-	189.15230	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe