CID 10986305

4-amino-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C5H5N3O2
SMILES
C1=NC(=O)NC(=C1C=O)N
InChI
InChI=1S/C5H5N3O2/c6-4-3(2-9)1-7-5(10)8-4/h1-2H,(H3,6,7,8,10)
InChIKey
FHSISDGOVSHJRW-UHFFFAOYSA-N
Compound name
6-amino-2-oxo-1H-pyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

180
References

3771
Patents

139.03818 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.04546 124.1
[M+Na]+ 162.02740 134.4
[M-H]- 138.03090 124.2
[M+NH4]+ 157.07200 142.2
[M+K]+ 178.00134 131.6
[M+H-H2O]+ 122.03544 117.5
[M+HCOO]- 184.03638 147.1
[M+CH3COO]- 198.05203 170.9
[M+Na-2H]- 160.01285 131.8
[M]+ 139.03763 122.2
[M]- 139.03873 122.2
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