CID 407899

2-cyclohexylaniline

Structural Information

Molecular Formula
C12H17N
SMILES
C1CCC(CC1)C2=CC=CC=C2N
InChI
InChI=1S/C12H17N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,13H2
InChIKey
CDEGDZUMZIYNRD-UHFFFAOYSA-N
Compound name
2-cyclohexylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

454
Patents

175.1361 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 139.2
[M+Na]+ 198.12532 143.7
[M-H]- 174.12882 144.6
[M+NH4]+ 193.16992 158.5
[M+K]+ 214.09926 140.5
[M+H-H2O]+ 158.13336 132.3
[M+HCOO]- 220.13430 160.4
[M+CH3COO]- 234.14995 182.3
[M+Na-2H]- 196.11077 144.0
[M]+ 175.13555 131.9
[M]- 175.13665 131.9
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