CID 74567

N-cyclohexylaniline

Structural Information

Molecular Formula
C12H17N
SMILES
C1CCC(CC1)NC2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2
InChIKey
TXTHKGMZDDTZFD-UHFFFAOYSA-N
Compound name
N-cyclohexylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

2965
Patents

175.1361 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 138.5
[M+Na]+ 198.12532 142.0
[M-H]- 174.12882 144.0
[M+NH4]+ 193.16992 157.7
[M+K]+ 214.09926 139.2
[M+H-H2O]+ 158.13336 131.4
[M+HCOO]- 220.13430 160.3
[M+CH3COO]- 234.14995 181.9
[M+Na-2H]- 196.11077 145.1
[M]+ 175.13555 131.8
[M]- 175.13665 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe