CID 7063871

872107-91-0

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CC1=C(C(=NC(=O)N1)C)CC(=O)O
InChI
InChI=1S/C8H10N2O3/c1-4-6(3-7(11)12)5(2)10-8(13)9-4/h3H2,1-2H3,(H,11,12)(H,9,10,13)
InChIKey
BZHPNUFOKOBIBV-UHFFFAOYSA-N
Compound name
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 137.7
[M+Na]+ 205.05836 149.7
[M+NH4]+ 200.10296 143.3
[M+K]+ 221.03230 145.8
[M-H]- 181.06186 136.3
[M+Na-2H]- 203.04381 141.8
[M]+ 182.06859 138.7
[M]- 182.06969 138.7
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

No patent data available for this compound.