CID 54595330

Rac-(3r,4r)-4-(difluoromethyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C6H9F2NO2
SMILES
C1[C@H]([C@@H](CN1)C(=O)O)C(F)F
InChI
InChI=1S/C6H9F2NO2/c7-5(8)3-1-9-2-4(3)6(10)11/h3-5,9H,1-2H2,(H,10,11)/t3-,4-/m1/s1
InChIKey
GWUOTCZXZDZSIG-QWWZWVQMSA-N
Compound name
(3S,4S)-4-(difluoromethyl)pyrrolidine-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]+ 166.067406 132.1
[M+Na]+ 188.049348 138.3
[M-H]- 164.052854 128.6
[M+NH4]+ 183.093953 151.3
[M+K]+ 204.023288 136.5
[M+H-H2O]+ 148.057390 124.9
[M+HCOO]- 210.058331 147.5
[M+CH3COO]- 224.073981 172.0
[M+Na-2H]- 186.034796 132.1
[M]+ 165.05958142 124.3
[M]- 165.06067858 124.3
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

No patent data available for this compound.