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]+ 208.11437 144.1
[M+Na]+ 230.09631 150.6
[M-H]- 206.09981 142.1
[M+NH4]+ 225.14091 164.7
[M+K]+ 246.07025 149.2
[M+H-H2O]+ 190.10435 137.5
[M+HCOO]- 252.10529 160.2
[M+CH3COO]- 266.12094 182.5
[M+Na-2H]- 228.08176 144.5
[M]+ 207.10654 139.6
[M]- 207.10764 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.