CID 89826241

2243515-08-2

Structural Information

Molecular Formula
C7H11F2NO2
SMILES
CC1(CC(CN1)(F)F)C(=O)OC
InChI
InChI=1S/C7H11F2NO2/c1-6(5(11)12-2)3-7(8,9)4-10-6/h10H,3-4H2,1-2H3
InChIKey
GQQDAIWFVWRWAV-UHFFFAOYSA-N
Compound name
methyl 4,4-difluoro-2-methylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

179.07579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.083066 132.8
[M+Na]+ 202.065008 141.4
[M-H]- 178.068514 131.5
[M+NH4]+ 197.109613 156.6
[M+K]+ 218.038948 140.2
[M+H-H2O]+ 162.073050 127.5
[M+HCOO]- 224.073991 150.7
[M+CH3COO]- 238.089641 175.4
[M+Na-2H]- 200.050456 136.9
[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

No literature data available for this compound.

Patent stripe

patents stripe