CID 18453392

3-benzylcyclopentan-1-amine

Structural Information

Molecular Formula
C12H17N
SMILES
C1CC(CC1CC2=CC=CC=C2)N
InChI
InChI=1S/C12H17N/c13-12-7-6-11(9-12)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKey
XYBQISJWMAKZSH-UHFFFAOYSA-N
Compound name
3-benzylcyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 139.5
[M+Na]+ 198.12532 145.0
[M-H]- 174.12882 145.3
[M+NH4]+ 193.16992 160.8
[M+K]+ 214.09926 141.7
[M+H-H2O]+ 158.13336 133.0
[M+HCOO]- 220.13430 162.9
[M+CH3COO]- 234.14995 181.9
[M+Na-2H]- 196.11077 142.9
[M]+ 175.13555 134.5
[M]- 175.13665 134.5
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

patents stripe