CID 137939090

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

Structural Information

Molecular Formula
C7H11F2NO2
SMILES
COC(=O)C1(CCNC1)C(F)F
InChI
InChI=1S/C7H11F2NO2/c1-12-6(11)7(5(8)9)2-3-10-4-7/h5,10H,2-4H2,1H3
InChIKey
WVEJIXYJPFPEFL-UHFFFAOYSA-N
Compound name
methyl 3-(difluoromethyl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07579 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.083066 136.0
[M+Na]+ 202.065008 142.4
[M-H]- 178.068514 133.9
[M+NH4]+ 197.109613 157.3
[M+K]+ 218.038948 141.4
[M+H-H2O]+ 162.073050 129.3
[M+HCOO]- 224.073991 152.8
[M+CH3COO]- 238.089641 175.3
[M+Na-2H]- 200.050456 138.0
[M]+ 179.07524142 130.4
[M]- 179.07633858 130.4
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.