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
cis-(1R,3S)-3-phenylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56
Patents

175.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 139.2
[M+Na]+ 198.125318 143.7
[M-H]- 174.128824 144.6
[M+NH4]+ 193.169923 158.5
[M+K]+ 214.099258 140.5
[M+H-H2O]+ 158.133360 132.3
[M+HCOO]- 220.134301 160.4
[M+CH3COO]- 234.149951 182.3
[M+Na-2H]- 196.110766 144.0
[M]+ 175.13555142 131.9
[M]- 175.13664858 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.