CID 116991251

1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol

Structural Information

Molecular Formula
C8H16F2N2O
SMILES
C1CN(CCC1(F)F)CC(CN)O
InChI
InChI=1S/C8H16F2N2O/c9-8(10)1-3-12(4-2-8)6-7(13)5-11/h7,13H,1-6,11H2
InChIKey
GFUAXYOJNYOLBR-UHFFFAOYSA-N
Compound name
1-amino-3-(4,4-difluoropiperidin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.12306 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13034 142.3
[M+Na]+ 217.11228 147.4
[M-H]- 193.11578 139.4
[M+NH4]+ 212.15688 161.0
[M+K]+ 233.08622 145.5
[M+H-H2O]+ 177.12032 134.9
[M+HCOO]- 239.12126 157.5
[M+CH3COO]- 253.13691 182.7
[M+Na-2H]- 215.09773 144.8
[M]+ 194.12251 133.6
[M]- 194.12361 133.6
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.