CID 416708

91846-85-4

Structural Information

Molecular Formula
C7H9N3O4
SMILES
C1=C(NC(=O)NC1=O)CC(C(=O)O)N
InChI
InChI=1S/C7H9N3O4/c8-4(6(12)13)1-3-2-5(11)10-7(14)9-3/h2,4H,1,8H2,(H,12,13)(H2,9,10,11,14)
InChIKey
GDRSOHBLEJXJIV-UHFFFAOYSA-N
Compound name
2-amino-3-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

199.05931 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.066586 139.4
[M+Na]+ 222.048528 147.4
[M-H]- 198.052034 136.6
[M+NH4]+ 217.093133 153.2
[M+K]+ 238.022468 144.0
[M+H-H2O]+ 182.056570 132.7
[M+HCOO]- 244.057511 157.3
[M+CH3COO]- 258.073161 178.1
[M+Na-2H]- 220.033976 142.6
[M]+ 199.05876142 135.3
[M]- 199.05985858 135.3
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