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]+ 196.07798 140.1
[M+Na]+ 218.05992 145.3
[M-H]- 194.06342 135.0
[M+NH4]+ 213.10452 157.4
[M+K]+ 234.03386 143.0
[M+H-H2O]+ 178.06796 134.0
[M+HCOO]- 240.06890 151.2
[M+CH3COO]- 254.08455 172.8
[M+Na-2H]- 216.04537 144.5
[M]+ 195.07015 130.3
[M]- 195.07125 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.