CID 869183

57412-59-6

Structural Information

Molecular Formula
C7H6N2O4
SMILES
C1=C(C(=O)NC(=O)N1)/C=C/C(=O)O
InChI
InChI=1S/C7H6N2O4/c10-5(11)2-1-4-3-8-7(13)9-6(4)12/h1-3H,(H,10,11)(H2,8,9,12,13)/b2-1+
InChIKey
HFEXWXMEGUJTQB-OWOJBTEDSA-N
Compound name
(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

208
Patents

182.03276 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04004 133.8
[M+Na]+ 205.02198 143.4
[M-H]- 181.02548 131.4
[M+NH4]+ 200.06658 149.0
[M+K]+ 220.99592 139.1
[M+H-H2O]+ 165.03002 127.5
[M+HCOO]- 227.03096 152.5
[M+CH3COO]- 241.04661 170.8
[M+Na-2H]- 203.00743 138.9
[M]+ 182.03221 131.4
[M]- 182.03331 131.4
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