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

119
Patents

121.070305 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.077581 120.2
[M+Na]+ 144.059523 128.6
[M-H]- 120.063029 118.6
[M+NH4]+ 139.104128 144.4
[M+K]+ 160.033463 126.9
[M+H-H2O]+ 104.067565 114.0
[M+HCOO]- 166.068506 138.9
[M+CH3COO]- 180.084156 166.3
[M+Na-2H]- 142.044971 125.0
[M]+ 121.06975642 113.3
[M]- 121.07085358 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