CID 63080601

1-(1-phenylcyclopentyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C1(CCCC1)C2=CC=CC=C2)N
InChI
InChI=1S/C13H19N/c1-11(14)13(9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10,14H2,1H3
InChIKey
ABRFXTMQISKRJO-UHFFFAOYSA-N
Compound name
1-(1-phenylcyclopentyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 145.3
[M+Na]+ 212.140968 150.1
[M-H]- 188.144474 150.9
[M+NH4]+ 207.185573 167.6
[M+K]+ 228.114908 147.2
[M+H-H2O]+ 172.149010 139.0
[M+HCOO]- 234.149951 167.4
[M+CH3COO]- 248.165601 184.2
[M+Na-2H]- 210.126416 148.5
[M]+ 189.15120142 139.8
[M]- 189.15229858 139.8
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.