CID 18999642

(1-benzylcyclopentyl)methanamine hydrochloride

Structural Information

Molecular Formula
C13H19N
SMILES
C1CCC(C1)(CC2=CC=CC=C2)CN
InChI
InChI=1S/C13H19N/c14-11-13(8-4-5-9-13)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,14H2
InChIKey
IMAMHYBLHFHFRI-UHFFFAOYSA-N
Compound name
(1-benzylcyclopentyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

189.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 144.4
[M+Na]+ 212.140968 149.5
[M-H]- 188.144474 150.0
[M+NH4]+ 207.185573 166.8
[M+K]+ 228.114908 146.1
[M+H-H2O]+ 172.149010 138.0
[M+HCOO]- 234.149951 167.5
[M+CH3COO]- 248.165601 183.4
[M+Na-2H]- 210.126416 148.9
[M]+ 189.15120142 139.6
[M]- 189.15229858 139.6
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