CID 205131

(1-phenylcyclopentyl)methanamine

Structural Information

Molecular Formula
C12H17N
SMILES
C1CCC(C1)(CN)C2=CC=CC=C2
InChI
InChI=1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2
InChIKey
SJWOFBVBNFLWLP-UHFFFAOYSA-N
Compound name
(1-phenylcyclopentyl)methanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

174
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 139.9
[M+Na]+ 198.12532 145.4
[M-H]- 174.12882 145.7
[M+NH4]+ 193.16992 162.9
[M+K]+ 214.09926 142.3
[M+H-H2O]+ 158.13336 133.7
[M+HCOO]- 220.13430 163.3
[M+CH3COO]- 234.14995 180.4
[M+Na-2H]- 196.11077 144.9
[M]+ 175.13555 134.7
[M]- 175.13665 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe