CID 116640817

4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C9H7N3O3
SMILES
C1=COC=C1C2=NC=C(C(=N2)N)C(=O)O
InChI
InChI=1S/C9H7N3O3/c10-7-6(9(13)14)3-11-8(12-7)5-1-2-15-4-5/h1-4H,(H,13,14)(H2,10,11,12)
InChIKey
NBRBLRGRUICSNI-UHFFFAOYSA-N
Compound name
4-amino-2-(furan-3-yl)pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04874 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.056016 140.9
[M+Na]+ 228.037958 150.0
[M-H]- 204.041464 144.8
[M+NH4]+ 223.082563 156.3
[M+K]+ 244.011898 148.3
[M+H-H2O]+ 188.046000 133.1
[M+HCOO]- 250.046941 162.9
[M+CH3COO]- 264.062591 182.7
[M+Na-2H]- 226.023406 146.1
[M]+ 205.04819142 140.8
[M]- 205.04928858 140.8
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.