CID 138040858

2162445-18-1

Structural Information

Molecular Formula
C9H15F2NO2
SMILES
CCOC(=O)C1CNCC1(C)C(F)F
InChI
InChI=1S/C9H15F2NO2/c1-3-14-7(13)6-4-12-5-9(6,2)8(10)11/h6,8,12H,3-5H2,1-2H3
InChIKey
JDLGFEFWVGZJCM-UHFFFAOYSA-N
Compound name
ethyl 4-(difluoromethyl)-4-methylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10709 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.114366 144.1
[M+Na]+ 230.096308 150.6
[M-H]- 206.099814 142.1
[M+NH4]+ 225.140913 164.7
[M+K]+ 246.070248 149.2
[M+H-H2O]+ 190.104350 137.5
[M+HCOO]- 252.105291 160.2
[M+CH3COO]- 266.120941 182.5
[M+Na-2H]- 228.081756 144.5
[M]+ 207.10654142 139.6
[M]- 207.10763858 139.6
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.