CID 82601254

1781964-00-8

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CC1=NC(=NC=C1CC(=O)O)OC
InChI
InChI=1S/C8H10N2O3/c1-5-6(3-7(11)12)4-9-8(10-5)13-2/h4H,3H2,1-2H3,(H,11,12)
InChIKey
PESULRQKXNAVSS-UHFFFAOYSA-N
Compound name
2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 136.5
[M+Na]+ 205.05836 145.7
[M-H]- 181.06186 136.7
[M+NH4]+ 200.10296 153.4
[M+K]+ 221.03230 144.3
[M+H-H2O]+ 165.06640 129.6
[M+HCOO]- 227.06734 157.1
[M+CH3COO]- 241.08299 179.5
[M+Na-2H]- 203.04381 142.2
[M]+ 182.06859 139.0
[M]- 182.06969 139.0
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.