CID 115012636

3-(3-fluoropyrrolidin-1-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C7H12FNO2
SMILES
C1CN(CC1F)CCC(=O)O
InChI
InChI=1S/C7H12FNO2/c8-6-1-3-9(5-6)4-2-7(10)11/h6H,1-5H2,(H,10,11)
InChIKey
QUZIRVUEYVUTKG-UHFFFAOYSA-N
Compound name
3-(3-fluoropyrrolidin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.0852 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.092476 133.4
[M+Na]+ 184.074418 140.0
[M-H]- 160.077924 132.5
[M+NH4]+ 179.119023 153.8
[M+K]+ 200.048358 138.7
[M+H-H2O]+ 144.082460 126.8
[M+HCOO]- 206.083401 152.2
[M+CH3COO]- 220.099051 173.9
[M+Na-2H]- 182.059866 135.3
[M]+ 161.08465142 129.7
[M]- 161.08574858 129.7
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.