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]+ 171.056426 131.8
[M+Na]+ 193.038368 140.6
[M-H]- 169.041874 130.3
[M+NH4]+ 188.082973 148.8
[M+K]+ 209.012308 138.4
[M+H-H2O]+ 153.046410 124.0
[M+HCOO]- 215.047351 151.5
[M+CH3COO]- 229.063001 175.8
[M+Na-2H]- 191.023816 138.2
[M]+ 170.04860142 130.9
[M]- 170.04969858 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.