CID 70951

36327-91-0

Structural Information

Molecular Formula
C5H4N2O3
SMILES
C1=C(NC(=O)NC1=O)C=O
InChI
InChI=1S/C5H4N2O3/c8-2-3-1-4(9)7-5(10)6-3/h1-2H,(H2,6,7,9,10)
InChIKey
VUQNLIDVEFIQLP-UHFFFAOYSA-N
Compound name
2,4-dioxo-1H-pyrimidine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

92
Patents

140.02219 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02947 122.1
[M+Na]+ 163.01141 133.0
[M-H]- 139.01491 121.3
[M+NH4]+ 158.05601 139.9
[M+K]+ 178.98535 129.6
[M+H-H2O]+ 123.01945 116.0
[M+HCOO]- 185.02039 143.5
[M+CH3COO]- 199.03604 165.4
[M+Na-2H]- 160.99686 129.9
[M]+ 140.02164 120.8
[M]- 140.02274 120.8
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