CID 105448682

2,2-difluoro-2-(3-hydroxypiperidin-3-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C7H11F2NO3
SMILES
C1CC(CNC1)(C(C(=O)O)(F)F)O
InChI
InChI=1S/C7H11F2NO3/c8-7(9,5(11)12)6(13)2-1-3-10-4-6/h10,13H,1-4H2,(H,11,12)
InChIKey
ZAIIHUZUJLEGOF-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(3-hydroxypiperidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0707 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.077976 140.1
[M+Na]+ 218.059918 145.3
[M-H]- 194.063424 135.0
[M+NH4]+ 213.104523 157.4
[M+K]+ 234.033858 143.0
[M+H-H2O]+ 178.067960 134.0
[M+HCOO]- 240.068901 151.2
[M+CH3COO]- 254.084551 172.8
[M+Na-2H]- 216.045366 144.5
[M]+ 195.07015142 130.3
[M]- 195.07124858 130.3
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.