CID 853753

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

Structural Information

Molecular Formula
C7H8N2O4
SMILES
CC1=CN(C(=O)NC1=O)CC(=O)O
InChI
InChI=1S/C7H8N2O4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12/h2H,3H2,1H3,(H,10,11)(H,8,12,13)
InChIKey
TZDMCKHDYUDRMB-UHFFFAOYSA-N
Compound name
2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

712
Patents

184.0484 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05568 133.3
[M+Na]+ 207.03762 143.9
[M-H]- 183.04112 132.7
[M+NH4]+ 202.08222 149.5
[M+K]+ 223.01156 141.1
[M+H-H2O]+ 167.04566 127.0
[M+HCOO]- 229.04660 153.3
[M+CH3COO]- 243.06225 175.9
[M+Na-2H]- 205.02307 138.3
[M]+ 184.04785 134.0
[M]- 184.04895 134.0
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