CID 155943874

4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H9F2NO2
SMILES
CC1(CNCC1(F)F)C(=O)O
InChI
InChI=1S/C6H9F2NO2/c1-5(4(10)11)2-9-3-6(5,7)8/h9H,2-3H2,1H3,(H,10,11)
InChIKey
FETKBDCXIYMXCZ-UHFFFAOYSA-N
Compound name
4,4-difluoro-3-methylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.06013 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06741 129.3
[M+Na]+ 188.04935 137.8
[M-H]- 164.05285 126.6
[M+NH4]+ 183.09395 152.7
[M+K]+ 204.02329 135.8
[M+H-H2O]+ 148.05739 124.3
[M+HCOO]- 210.05833 145.9
[M+CH3COO]- 224.07398 170.5
[M+Na-2H]- 186.03480 133.3
[M]+ 165.05958 123.0
[M]- 165.06068 123.0
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.