CID 13201295

N-{[2-(trifluoromethyl)phenyl]methyl}cyclopentanamine

Structural Information

Molecular Formula
C13H16F3N
SMILES
C1CCC(C1)NCC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C13H16F3N/c14-13(15,16)12-8-4-1-5-10(12)9-17-11-6-2-3-7-11/h1,4-5,8,11,17H,2-3,6-7,9H2
InChIKey
VDZOYKXKTRHXGF-UHFFFAOYSA-N
Compound name
N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12349 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13077 152.1
[M+Na]+ 266.11271 157.8
[M-H]- 242.11621 154.2
[M+NH4]+ 261.15731 170.8
[M+K]+ 282.08665 153.7
[M+H-H2O]+ 226.12075 143.0
[M+HCOO]- 288.12169 171.0
[M+CH3COO]- 302.13734 193.5
[M+Na-2H]- 264.09816 154.8
[M]+ 243.12294 144.4
[M]- 243.12404 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.