CID 126845667

3-(2,2-difluorocyclopropyl)piperidine hydrochloride

Structural Information

Molecular Formula
C8H13F2N
SMILES
C1CC(CNC1)C2CC2(F)F
InChI
InChI=1S/C8H13F2N/c9-8(10)4-7(8)6-2-1-3-11-5-6/h6-7,11H,1-5H2
InChIKey
MZNFUFKYAJNTNK-UHFFFAOYSA-N
Compound name
3-(2,2-difluorocyclopropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.10161 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.108886 132.8
[M+Na]+ 184.090828 140.7
[M-H]- 160.094334 134.7
[M+NH4]+ 179.135433 148.4
[M+K]+ 200.064768 138.1
[M+H-H2O]+ 144.098870 125.0
[M+HCOO]- 206.099811 148.8
[M+CH3COO]- 220.115461 177.7
[M+Na-2H]- 182.076276 137.7
[M]+ 161.10106142 126.5
[M]- 161.10215858 126.5
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

No patent data available for this compound.