CID 131084702

3-(5-fluoropyrimidin-2-yl)propanoic acid

Structural Information

Molecular Formula
C7H7FN2O2
SMILES
C1=C(C=NC(=N1)CCC(=O)O)F
InChI
InChI=1S/C7H7FN2O2/c8-5-3-9-6(10-4-5)1-2-7(11)12/h3-4H,1-2H2,(H,11,12)
InChIKey
GZONJWPOXHZVNG-UHFFFAOYSA-N
Compound name
3-(5-fluoropyrimidin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.04915 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05643 131.8
[M+Na]+ 193.03837 140.6
[M-H]- 169.04187 130.3
[M+NH4]+ 188.08297 148.8
[M+K]+ 209.01231 138.4
[M+H-H2O]+ 153.04641 124.0
[M+HCOO]- 215.04735 151.5
[M+CH3COO]- 229.06300 175.8
[M+Na-2H]- 191.02382 138.2
[M]+ 170.04860 130.9
[M]- 170.04970 130.9
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.