CID 63799383

1343221-17-9

Structural Information

Molecular Formula
C7H9N3O4
SMILES
COC(=O)CN1C=C(C(=O)NC1=O)N
InChI
InChI=1S/C7H9N3O4/c1-14-5(11)3-10-2-4(8)6(12)9-7(10)13/h2H,3,8H2,1H3,(H,9,12,13)
InChIKey
QCDLETSINXMAIN-UHFFFAOYSA-N
Compound name
methyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.05931 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06659 137.9
[M+Na]+ 222.04853 148.1
[M-H]- 198.05203 138.2
[M+NH4]+ 217.09313 153.7
[M+K]+ 238.02247 145.8
[M+H-H2O]+ 182.05657 130.9
[M+HCOO]- 244.05751 159.8
[M+CH3COO]- 258.07316 182.3
[M+Na-2H]- 220.03398 142.6
[M]+ 199.05876 138.6
[M]- 199.05986 138.6
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.