CID 31862

1-phenylcyclohexylamine

Structural Information

Molecular Formula
C12H17N
SMILES
C1CCC(CC1)(C2=CC=CC=C2)N
InChI
InChI=1S/C12H17N/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,13H2
InChIKey
RGZGRPPQZUQUCR-UHFFFAOYSA-N
Compound name
1-phenylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

29
References

1384
Patents

175.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 140.0
[M+Na]+ 198.12532 144.6
[M-H]- 174.12882 145.4
[M+NH4]+ 193.16992 161.1
[M+K]+ 214.09926 141.6
[M+H-H2O]+ 158.13336 133.4
[M+HCOO]- 220.13430 161.2
[M+CH3COO]- 234.14995 152.1
[M+Na-2H]- 196.11077 146.4
[M]+ 175.13555 132.7
[M]- 175.13665 132.7
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