CID 105530194

Methyl 2-(3,3-difluoropiperidin-4-yl)acetate hydrochloride

Structural Information

Molecular Formula
C8H13F2NO2
SMILES
COC(=O)CC1CCNCC1(F)F
InChI
InChI=1S/C8H13F2NO2/c1-13-7(12)4-6-2-3-11-5-8(6,9)10/h6,11H,2-5H2,1H3
InChIKey
IOKKUKWKMCLWRM-UHFFFAOYSA-N
Compound name
methyl 2-(3,3-difluoropiperidin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

193.09143 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09871 144.2
[M+Na]+ 216.08065 151.9
[M+NH4]+ 211.12525 151.2
[M+K]+ 232.05459 145.6
[M-H]- 192.08415 141.1
[M+Na-2H]- 214.06610 147.5
[M]+ 193.09088 144.0
[M]- 193.09198 144.0
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

patents stripe