CID 18002139

1-[(3,4-difluorophenyl)methyl]piperidin-4-amine

Structural Information

Molecular Formula
C12H16F2N2
SMILES
C1CN(CCC1N)CC2=CC(=C(C=C2)F)F
InChI
InChI=1S/C12H16F2N2/c13-11-2-1-9(7-12(11)14)8-16-5-3-10(15)4-6-16/h1-2,7,10H,3-6,8,15H2
InChIKey
WNQXIWMYWRHSNU-UHFFFAOYSA-N
Compound name
1-[(3,4-difluorophenyl)methyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

226.12816 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13544 150.2
[M+Na]+ 249.11738 156.7
[M-H]- 225.12088 152.0
[M+NH4]+ 244.16198 166.6
[M+K]+ 265.09132 152.4
[M+H-H2O]+ 209.12542 140.6
[M+HCOO]- 271.12636 167.9
[M+CH3COO]- 285.14201 192.7
[M+Na-2H]- 247.10283 152.3
[M]+ 226.12761 142.0
[M]- 226.12871 142.0
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