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

12
Patents

164.1125 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.11978 135.0
[M+Na]+ 187.10172 140.0
[M-H]- 163.10522 133.3
[M+NH4]+ 182.14632 153.6
[M+K]+ 203.07566 138.4
[M+H-H2O]+ 147.10976 126.7
[M+HCOO]- 209.11070 151.8
[M+CH3COO]- 223.12635 180.6
[M+Na-2H]- 185.08717 137.3
[M]+ 164.11195 126.0
[M]- 164.11305 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