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]+ 194.13396 142.0
[M+Na]+ 216.11590 148.6
[M-H]- 192.11940 146.8
[M+NH4]+ 211.16050 164.6
[M+K]+ 232.08984 145.0
[M+H-H2O]+ 176.12394 135.2
[M+HCOO]- 238.12488 164.5
[M+CH3COO]- 252.14053 184.1
[M+Na-2H]- 214.10135 145.8
[M]+ 193.12613 136.2
[M]- 193.12723 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