CID 209559

Cis-m.g. 3929

Structural Information

Molecular Formula
C12H17N
SMILES
C1C[C@@H](C[C@@H](C1)N)C2=CC=CC=C2
InChI
InChI=1S/C12H17N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2/t11-,12+/m0/s1
InChIKey
CJRUDCMOPMVAIB-NWDGAFQWSA-N
Compound name
(1R,3S)-3-phenylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

175.1361 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.