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]+ 180.08307 136.9
[M+Na]+ 202.06501 141.9
[M-H]- 178.06851 133.0
[M+NH4]+ 197.10961 155.5
[M+K]+ 218.03895 140.1
[M+H-H2O]+ 162.07305 130.1
[M+HCOO]- 224.07399 149.9
[M+CH3COO]- 238.08964 173.7
[M+Na-2H]- 200.05046 139.6
[M]+ 179.07524 127.4
[M]- 179.07634 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.