CID 3062311

80649-44-1

Structural Information

Molecular Formula
C14H21N
SMILES
CC(C1=CC=C(C=C1)C2CCCC2)NC
InChI
InChI=1S/C14H21N/c1-11(15-2)12-7-9-14(10-8-12)13-5-3-4-6-13/h7-11,13,15H,3-6H2,1-2H3
InChIKey
JOKWNDIXBFVGMY-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1674 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 149.1
[M+Na]+ 226.156618 153.3
[M-H]- 202.160124 155.0
[M+NH4]+ 221.201223 169.4
[M+K]+ 242.130558 150.4
[M+H-H2O]+ 186.164660 142.2
[M+HCOO]- 248.165601 171.4
[M+CH3COO]- 262.181251 189.5
[M+Na-2H]- 224.142066 151.0
[M]+ 203.16685142 145.1
[M]- 203.16794858 145.1
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