CID 12757862

(1s,2r)-2-benzylcyclopentan-1-aminehydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
C1C[C@@H]([C@H](C1)N)CC2=CC=CC=C2
InChI
InChI=1S/C12H17N/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2/t11-,12+/m1/s1
InChIKey
HZWLOFAMCMRCCI-NEPJUHHUSA-N
Compound name
(1S,2R)-2-benzylcyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 140.8
[M+Na]+ 198.12532 152.2
[M+NH4]+ 193.16992 150.8
[M+K]+ 214.09926 146.3
[M-H]- 174.12882 145.8
[M+Na-2H]- 196.11077 148.4
[M]+ 175.13555 143.8
[M]- 175.13665 143.8
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.