CID 55296550

Methyl 5,5-difluoropiperidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H11F2NO2
SMILES
COC(=O)C1CCC(CN1)(F)F
InChI
InChI=1S/C7H11F2NO2/c1-12-6(11)5-2-3-7(8,9)4-10-5/h5,10H,2-4H2,1H3
InChIKey
DXYRZTZHEAXGOK-UHFFFAOYSA-N
Compound name
methyl 5,5-difluoropiperidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

179.07579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.083066 135.4
[M+Na]+ 202.065008 142.2
[M-H]- 178.068514 133.3
[M+NH4]+ 197.109613 155.3
[M+K]+ 218.038948 140.8
[M+H-H2O]+ 162.073050 128.6
[M+HCOO]- 224.073991 151.0
[M+CH3COO]- 238.089641 175.9
[M+Na-2H]- 200.050456 139.3
[M]+ 179.07524142 128.7
[M]- 179.07633858 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe