CID 77213

3650-93-9

Structural Information

Molecular Formula
C5H5N3O3
SMILES
C1=NC(=O)NC(=C1C(=O)O)N
InChI
InChI=1S/C5H5N3O3/c6-3-2(4(9)10)1-7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11)
InChIKey
BLQMCTXZEMGOJM-UHFFFAOYSA-N
Compound name
6-amino-2-oxo-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

3117
Patents

155.0331 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04038 127.9
[M+Na]+ 178.02232 137.3
[M-H]- 154.02582 126.7
[M+NH4]+ 173.06692 144.4
[M+K]+ 193.99626 134.7
[M+H-H2O]+ 138.03036 121.4
[M+HCOO]- 200.03130 148.5
[M+CH3COO]- 214.04695 171.7
[M+Na-2H]- 176.00777 133.8
[M]+ 155.03255 124.9
[M]- 155.03365 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

literature stripe

Patent stripe

patents stripe