CID 28449704

N-[2-(2-fluorophenyl)ethyl]cyclopentanamine

Structural Information

Molecular Formula
C13H18FN
SMILES
C1CCC(C1)NCCC2=CC=CC=C2F
InChI
InChI=1S/C13H18FN/c14-13-8-4-1-5-11(13)9-10-15-12-6-2-3-7-12/h1,4-5,8,12,15H,2-3,6-7,9-10H2
InChIKey
KRZBHEWQBVWPBT-UHFFFAOYSA-N
Compound name
N-[2-(2-fluorophenyl)ethyl]cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.14233 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.14961 146.3
[M+Na]+ 230.13155 151.3
[M-H]- 206.13505 150.9
[M+NH4]+ 225.17615 166.4
[M+K]+ 246.10549 147.7
[M+H-H2O]+ 190.13959 138.5
[M+HCOO]- 252.14053 168.9
[M+CH3COO]- 266.15618 188.3
[M+Na-2H]- 228.11700 149.5
[M]+ 207.14178 141.5
[M]- 207.14288 141.5
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.