CID 83819666

1-[1-(2-phenylethyl)cyclopentyl]methanamine

Structural Information

Molecular Formula
C14H21N
SMILES
C1CCC(C1)(CCC2=CC=CC=C2)CN
InChI
InChI=1S/C14H21N/c15-12-14(9-4-5-10-14)11-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,15H2
InChIKey
JHHLJOIMNMOICS-UHFFFAOYSA-N
Compound name
[1-(2-phenylethyl)cyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 148.9
[M+Na]+ 226.15662 153.6
[M-H]- 202.16012 154.3
[M+NH4]+ 221.20122 170.8
[M+K]+ 242.13056 149.9
[M+H-H2O]+ 186.16466 142.3
[M+HCOO]- 248.16560 171.7
[M+CH3COO]- 262.18125 186.4
[M+Na-2H]- 224.14207 152.8
[M]+ 203.16685 144.4
[M]- 203.16795 144.4
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.