CID 16767212

1-[1-(3-fluorophenyl)cyclopentyl]methanamine

Structural Information

Molecular Formula
C12H16FN
SMILES
C1CCC(C1)(CN)C2=CC(=CC=C2)F
InChI
InChI=1S/C12H16FN/c13-11-5-3-4-10(8-11)12(9-14)6-1-2-7-12/h3-5,8H,1-2,6-7,9,14H2
InChIKey
DNRJUAGGSQWTTG-UHFFFAOYSA-N
Compound name
[1-(3-fluorophenyl)cyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

193.12668 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.133956 142.0
[M+Na]+ 216.115898 148.6
[M-H]- 192.119404 146.8
[M+NH4]+ 211.160503 164.6
[M+K]+ 232.089838 145.0
[M+H-H2O]+ 176.123940 135.2
[M+HCOO]- 238.124881 164.5
[M+CH3COO]- 252.140531 184.1
[M+Na-2H]- 214.101346 145.8
[M]+ 193.12613142 136.2
[M]- 193.12722858 136.2
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