CID 452018

120991-13-1

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CC1=CN(C(=O)NC1=O)C=C=CCO
InChI
InChI=1S/C9H10N2O3/c1-7-6-11(4-2-3-5-12)9(14)10-8(7)13/h3-4,6,12H,5H2,1H3,(H,10,13,14)
InChIKey
YBCVWATXZPOZBN-UHFFFAOYSA-N
Compound name
1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 139.1
[M+Na]+ 217.05836 149.7
[M-H]- 193.06186 138.1
[M+NH4]+ 212.10296 155.2
[M+K]+ 233.03230 144.8
[M+H-H2O]+ 177.06640 132.7
[M+HCOO]- 239.06734 159.4
[M+CH3COO]- 253.08299 176.7
[M+Na-2H]- 215.04381 144.2
[M]+ 194.06859 138.8
[M]- 194.06969 138.8
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.