CID 170917708

Methyl 3-(difluoromethyl)piperidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H13F2NO2
SMILES
COC(=O)C1(CCCNC1)C(F)F
InChI
InChI=1S/C8H13F2NO2/c1-13-7(12)8(6(9)10)3-2-4-11-5-8/h6,11H,2-5H2,1H3
InChIKey
PPLAOTCKJACVJL-UHFFFAOYSA-N
Compound name
methyl 3-(difluoromethyl)piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09143 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.098706 140.9
[M+Na]+ 216.080648 146.0
[M-H]- 192.084154 138.3
[M+NH4]+ 211.125253 159.7
[M+K]+ 232.054588 144.8
[M+H-H2O]+ 176.088690 133.6
[M+HCOO]- 238.089631 155.1
[M+CH3COO]- 252.105281 178.6
[M+Na-2H]- 214.066096 143.6
[M]+ 193.09088142 133.5
[M]- 193.09197858 133.5
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.