CID 97072

20865-52-5

Structural Information

Molecular Formula
C6H7N3O3
SMILES
CC1=C(NC(=O)N=C1N)C(=O)O
InChI
InChI=1S/C6H7N3O3/c1-2-3(5(10)11)8-6(12)9-4(2)7/h1H3,(H,10,11)(H3,7,8,9,12)
InChIKey
VHOIFXNGTDEMNG-UHFFFAOYSA-N
Compound name
4-amino-5-methyl-2-oxo-1H-pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.04874 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 132.5
[M+Na]+ 192.03796 142.5
[M-H]- 168.04146 131.5
[M+NH4]+ 187.08256 148.8
[M+K]+ 208.01190 139.6
[M+H-H2O]+ 152.04600 126.1
[M+HCOO]- 214.04694 152.8
[M+CH3COO]- 228.06259 176.0
[M+Na-2H]- 190.02341 137.1
[M]+ 169.04819 130.2
[M]- 169.04929 130.2
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.