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

2
Patents

189.15175 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 143.1
[M+Na]+ 212.14097 147.1
[M-H]- 188.14447 148.8
[M+NH4]+ 207.18557 162.1
[M+K]+ 228.11491 144.1
[M+H-H2O]+ 172.14901 136.0
[M+HCOO]- 234.14995 164.6
[M+CH3COO]- 248.16560 186.0
[M+Na-2H]- 210.12642 148.4
[M]+ 189.15120 137.2
[M]- 189.15230 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe