CID 136575639

2193067-29-5

Structural Information

Molecular Formula
C9H8N2O3
SMILES
CC1=C(C2=C(O1)N=CNC2=O)C(=O)C
InChI
InChI=1S/C9H8N2O3/c1-4(12)6-5(2)14-9-7(6)8(13)10-3-11-9/h3H,1-2H3,(H,10,11,13)
InChIKey
MRNBUJVPZNBWCT-UHFFFAOYSA-N
Compound name
5-acetyl-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 135.9
[M+Na]+ 215.042718 148.3
[M-H]- 191.046224 138.7
[M+NH4]+ 210.087323 154.3
[M+K]+ 231.016658 146.2
[M+H-H2O]+ 175.050760 129.8
[M+HCOO]- 237.051701 157.5
[M+CH3COO]- 251.067351 180.2
[M+Na-2H]- 213.028166 142.6
[M]+ 192.05295142 140.1
[M]- 192.05404858 140.1
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.