CID 598396

((4-methoxy-6-methyl-2-pyrimidinyl)thio)acetic acid

Structural Information

Molecular Formula
C8H10N2O3S
SMILES
CC1=CC(=NC(=N1)SCC(=O)O)OC
InChI
InChI=1S/C8H10N2O3S/c1-5-3-6(13-2)10-8(9-5)14-4-7(11)12/h3H,4H2,1-2H3,(H,11,12)
InChIKey
VJWTZMALUAVWFP-UHFFFAOYSA-N
Compound name
2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.04121 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04849 145.3
[M+Na]+ 237.03043 156.9
[M+NH4]+ 232.07503 151.8
[M+K]+ 253.00437 150.4
[M-H]- 213.03393 144.8
[M+Na-2H]- 235.01588 149.5
[M]+ 214.04066 147.1
[M]- 214.04176 147.1
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.