CID 4962030

6-methyl-4-oxo-3h,4h-furo[2,3-d]pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C8H6N2O4
SMILES
CC1=C(C2=C(O1)N=CNC2=O)C(=O)O
InChI
InChI=1S/C8H6N2O4/c1-3-4(8(12)13)5-6(11)9-2-10-7(5)14-3/h2H,1H3,(H,12,13)(H,9,10,11)
InChIKey
FUUXILGTYMNJST-UHFFFAOYSA-N
Compound name
6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

194.03276 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04004 134.7
[M+Na]+ 217.02198 146.9
[M-H]- 193.02548 136.3
[M+NH4]+ 212.06658 152.2
[M+K]+ 232.99592 144.8
[M+H-H2O]+ 177.03002 128.8
[M+HCOO]- 239.03096 155.3
[M+CH3COO]- 253.04661 177.1
[M+Na-2H]- 215.00743 141.5
[M]+ 194.03221 138.1
[M]- 194.03331 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe