CID 21044002

4,4-difluoro-2-methylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C5H9F2N
SMILES
CC1CC(CN1)(F)F
InChI
InChI=1S/C5H9F2N/c1-4-2-5(6,7)3-8-4/h4,8H,2-3H2,1H3
InChIKey
VDZUDLHASRHRET-UHFFFAOYSA-N
Compound name
4,4-difluoro-2-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

121.070305 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07758 120.2
[M+Na]+ 144.05952 128.6
[M-H]- 120.06303 118.6
[M+NH4]+ 139.10413 144.4
[M+K]+ 160.03346 126.9
[M+H-H2O]+ 104.06756 114.0
[M+HCOO]- 166.06851 138.9
[M+CH3COO]- 180.08416 166.3
[M+Na-2H]- 142.04497 125.0
[M]+ 121.06976 113.3
[M]- 121.07085 113.3
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