CID 61297258

1-(2,2-difluoroethyl)piperidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C7H14F2N2
SMILES
C1CC(CN(C1)CC(F)F)N
InChI
InChI=1S/C7H14F2N2/c8-7(9)5-11-3-1-2-6(10)4-11/h6-7H,1-5,10H2
InChIKey
KSQSIVCPTDXLEO-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)piperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

164.1125 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.119776 135.0
[M+Na]+ 187.101718 140.0
[M-H]- 163.105224 133.3
[M+NH4]+ 182.146323 153.6
[M+K]+ 203.075658 138.4
[M+H-H2O]+ 147.109760 126.7
[M+HCOO]- 209.110701 151.8
[M+CH3COO]- 223.126351 180.6
[M+Na-2H]- 185.087166 137.3
[M]+ 164.11195142 126.0
[M]- 164.11304858 126.0
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