CID 4120141

1179377-17-3

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CC1=CC(=NC(=O)N1CC(=O)O)C
InChI
InChI=1S/C8H10N2O3/c1-5-3-6(2)10(4-7(11)12)8(13)9-5/h3H,4H2,1-2H3,(H,11,12)
InChIKey
RRROEJCGBTXLGK-UHFFFAOYSA-N
Compound name
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

182.06914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 135.0
[M+Na]+ 205.058358 145.5
[M-H]- 181.061864 135.6
[M+NH4]+ 200.102963 152.2
[M+K]+ 221.032298 143.5
[M+H-H2O]+ 165.066400 128.5
[M+HCOO]- 227.067341 155.8
[M+CH3COO]- 241.082991 179.9
[M+Na-2H]- 203.043806 140.0
[M]+ 182.06859142 137.2
[M]- 182.06968858 137.2
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.