CID 781972

N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine

Structural Information

Molecular Formula
C13H19FN2
SMILES
CN1CCC(CC1)NCC2=CC=CC=C2F
InChI
InChI=1S/C13H19FN2/c1-16-8-6-12(7-9-16)15-10-11-4-2-3-5-13(11)14/h2-5,12,15H,6-10H2,1H3
InChIKey
CHTDSLNEXIGYDX-UHFFFAOYSA-N
Compound name
N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

222.15323 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16051 151.0
[M+Na]+ 245.14245 156.0
[M-H]- 221.14595 154.1
[M+NH4]+ 240.18705 167.5
[M+K]+ 261.11639 152.2
[M+H-H2O]+ 205.15049 141.8
[M+HCOO]- 267.15143 170.0
[M+CH3COO]- 281.16708 192.4
[M+Na-2H]- 243.12790 154.9
[M]+ 222.15268 144.8
[M]- 222.15378 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe