CID 84767758

4-(difluoromethyl)piperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H11F2NO2
SMILES
C1CNCCC1(C(F)F)C(=O)O
InChI
InChI=1S/C7H11F2NO2/c8-5(9)7(6(11)12)1-3-10-4-2-7/h5,10H,1-4H2,(H,11,12)
InChIKey
DLUCUAKXUMSPAT-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07579 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.083066 136.9
[M+Na]+ 202.065008 141.9
[M-H]- 178.068514 133.0
[M+NH4]+ 197.109613 155.5
[M+K]+ 218.038948 140.1
[M+H-H2O]+ 162.073050 130.1
[M+HCOO]- 224.073991 149.9
[M+CH3COO]- 238.089641 173.7
[M+Na-2H]- 200.050456 139.6
[M]+ 179.07524142 127.4
[M]- 179.07633858 127.4
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.