CID 13163273

90402-62-3

Structural Information

Molecular Formula
C9H10N2O4
SMILES
CN1C=C(C(=O)N(C1=O)C)/C=C/C(=O)O
InChI
InChI=1S/C9H10N2O4/c1-10-5-6(3-4-7(12)13)8(14)11(2)9(10)15/h3-5H,1-2H3,(H,12,13)/b4-3+
InChIKey
BXDMLLVPFRNSLE-ONEGZZNKSA-N
Compound name
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06406 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 139.4
[M+Na]+ 233.05328 150.9
[M-H]- 209.05678 140.4
[M+NH4]+ 228.09788 155.7
[M+K]+ 249.02722 148.0
[M+H-H2O]+ 193.06132 133.0
[M+HCOO]- 255.06226 160.5
[M+CH3COO]- 269.07791 184.2
[M+Na-2H]- 231.03873 143.3
[M]+ 210.06351 142.4
[M]- 210.06461 142.4
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.