CID 10103741

Ethyl 3,3-difluoropyrrolidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H11F2NO2
SMILES
CCOC(=O)C1C(CCN1)(F)F
InChI
InChI=1S/C7H11F2NO2/c1-2-12-6(11)5-7(8,9)3-4-10-5/h5,10H,2-4H2,1H3
InChIKey
KCZCOOKFTRIMJK-UHFFFAOYSA-N
Compound name
ethyl 3,3-difluoropyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

179.07579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08307 134.7
[M+Na]+ 202.06501 142.3
[M-H]- 178.06851 132.9
[M+NH4]+ 197.10961 156.4
[M+K]+ 218.03895 140.8
[M+H-H2O]+ 162.07305 128.2
[M+HCOO]- 224.07399 152.5
[M+CH3COO]- 238.08964 175.6
[M+Na-2H]- 200.05046 137.4
[M]+ 179.07524 130.1
[M]- 179.07634 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe