CID 14148579

119813-25-1

Structural Information

Molecular Formula
C7H6N2O3
SMILES
C1=C(C(=O)NC=N1)/C=C/C(=O)O
InChI
InChI=1S/C7H6N2O3/c10-6(11)2-1-5-3-8-4-9-7(5)12/h1-4H,(H,10,11)(H,8,9,12)/b2-1+
InChIKey
CCCQGWURFCVAHM-OWOJBTEDSA-N
Compound name
(E)-3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.03784 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04512 131.3
[M+Na]+ 189.02706 140.3
[M-H]- 165.03056 130.0
[M+NH4]+ 184.07166 147.8
[M+K]+ 205.00100 136.9
[M+H-H2O]+ 149.03510 124.7
[M+HCOO]- 211.03604 151.2
[M+CH3COO]- 225.05169 170.4
[M+Na-2H]- 187.01251 137.7
[M]+ 166.03729 129.6
[M]- 166.03839 129.6
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.