CID 22281805

40769-70-8

Structural Information

Molecular Formula
C5H5N3O3
SMILES
C1=C(C(=O)NC(=N1)N)C(=O)O
InChI
InChI=1S/C5H5N3O3/c6-5-7-1-2(4(10)11)3(9)8-5/h1H,(H,10,11)(H3,6,7,8,9)
InChIKey
GBADBFAXAWZGHM-UHFFFAOYSA-N
Compound name
2-amino-6-oxo-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

155.0331 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.040376 127.9
[M+Na]+ 178.022318 137.3
[M-H]- 154.025824 126.7
[M+NH4]+ 173.066923 144.4
[M+K]+ 193.996258 134.7
[M+H-H2O]+ 138.030360 121.4
[M+HCOO]- 200.031301 148.5
[M+CH3COO]- 214.046951 171.7
[M+Na-2H]- 176.007766 133.8
[M]+ 155.03255142 124.9
[M]- 155.03364858 124.9
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

patents stripe