CID 14245505

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

Structural Information

Molecular Formula
C8H10N2O4
SMILES
CC1=C(C(=O)NC(=O)N1)CCC(=O)O
InChI
InChI=1S/C8H10N2O4/c1-4-5(2-3-6(11)12)7(13)10-8(14)9-4/h2-3H2,1H3,(H,11,12)(H2,9,10,13,14)
InChIKey
MXMIHOZDATZMMH-UHFFFAOYSA-N
Compound name
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

198.06406 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 140.9
[M+Na]+ 221.05328 151.8
[M+NH4]+ 216.09788 145.1
[M+K]+ 237.02722 148.7
[M-H]- 197.05678 138.1
[M+Na-2H]- 219.03873 143.7
[M]+ 198.06351 141.1
[M]- 198.06461 141.1
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

No patent data available for this compound.