CID 743202

2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid

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

11
Patents

184.0484 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.055676 134.5
[M+Na]+ 207.037618 144.6
[M-H]- 183.041124 132.5
[M+NH4]+ 202.082223 150.0
[M+K]+ 223.011558 141.0
[M+H-H2O]+ 167.045660 128.4
[M+HCOO]- 229.046601 152.9
[M+CH3COO]- 243.062251 173.6
[M+Na-2H]- 205.023066 138.9
[M]+ 184.04785142 133.3
[M]- 184.04894858 133.3
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