CID 83819666

1557551-40-2

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]+ 204.174676 148.9
[M+Na]+ 226.156618 153.6
[M-H]- 202.160124 154.3
[M+NH4]+ 221.201223 170.8
[M+K]+ 242.130558 149.9
[M+H-H2O]+ 186.164660 142.3
[M+HCOO]- 248.165601 171.7
[M+CH3COO]- 262.181251 186.4
[M+Na-2H]- 224.142066 152.8
[M]+ 203.16685142 144.4
[M]- 203.16794858 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.