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

6
Patents

175.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 139.5
[M+Na]+ 198.125318 145.0
[M-H]- 174.128824 145.3
[M+NH4]+ 193.169923 160.8
[M+K]+ 214.099258 141.7
[M+H-H2O]+ 158.133360 133.0
[M+HCOO]- 220.134301 162.9
[M+CH3COO]- 234.149951 181.9
[M+Na-2H]- 196.110766 142.9
[M]+ 175.13555142 134.5
[M]- 175.13664858 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