CID 743202

38580-22-2

Structural Information

Molecular Formula
C7H8N2O4
SMILES
CC1=C(C(=O)NC(=O)N1)CC(=O)O
InChI
InChI=1S/C7H8N2O4/c1-3-4(2-5(10)11)6(12)9-7(13)8-3/h2H2,1H3,(H,10,11)(H2,8,9,12,13)
InChIKey
GFWWREGOTNQVGC-UHFFFAOYSA-N
Compound name
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

184.0484 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05568 136.5
[M+Na]+ 207.03762 147.6
[M+NH4]+ 202.08222 140.9
[M+K]+ 223.01156 144.7
[M-H]- 183.04112 133.7
[M+Na-2H]- 205.02307 139.5
[M]+ 184.04785 136.7
[M]- 184.04895 136.7
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