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]+ 193.06078 135.9
[M+Na]+ 215.04272 148.3
[M-H]- 191.04622 138.7
[M+NH4]+ 210.08732 154.3
[M+K]+ 231.01666 146.2
[M+H-H2O]+ 175.05076 129.8
[M+HCOO]- 237.05170 157.5
[M+CH3COO]- 251.06735 180.2
[M+Na-2H]- 213.02817 142.6
[M]+ 192.05295 140.1
[M]- 192.05405 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.