CID 49793727

3,3-difluoro-5-hydroxypiperidin-2-one

Structural Information

Molecular Formula
C5H7F2NO2
SMILES
C1C(CNC(=O)C1(F)F)O
InChI
InChI=1S/C5H7F2NO2/c6-5(7)1-3(9)2-8-4(5)10/h3,9H,1-2H2,(H,8,10)
InChIKey
IGLPGCSKRIFQMC-UHFFFAOYSA-N
Compound name
3,3-difluoro-5-hydroxypiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

151.04448 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05176 126.3
[M+Na]+ 174.03370 134.6
[M-H]- 150.03720 123.4
[M+NH4]+ 169.07830 146.8
[M+K]+ 190.00764 132.2
[M+H-H2O]+ 134.04174 120.2
[M+HCOO]- 196.04268 142.0
[M+CH3COO]- 210.05833 168.2
[M+Na-2H]- 172.01915 131.2
[M]+ 151.04393 118.1
[M]- 151.04503 118.1
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