CID 116640817

1593002-54-0

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]+ 206.05602 140.9
[M+Na]+ 228.03796 150.0
[M-H]- 204.04146 144.8
[M+NH4]+ 223.08256 156.3
[M+K]+ 244.01190 148.3
[M+H-H2O]+ 188.04600 133.1
[M+HCOO]- 250.04694 162.9
[M+CH3COO]- 264.06259 182.7
[M+Na-2H]- 226.02341 146.1
[M]+ 205.04819 140.8
[M]- 205.04929 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.