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]+ 195.130336 142.3
[M+Na]+ 217.112278 147.4
[M-H]- 193.115784 139.4
[M+NH4]+ 212.156883 161.0
[M+K]+ 233.086218 145.5
[M+H-H2O]+ 177.120320 134.9
[M+HCOO]- 239.121261 157.5
[M+CH3COO]- 253.136911 182.7
[M+Na-2H]- 215.097726 144.8
[M]+ 194.12251142 133.6
[M]- 194.12360858 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.