CID 146081935

2169089-60-3

Structural Information

Molecular Formula
C6H7NO3S
SMILES
CC1=C(N=C(S1)C(=O)O)OC
InChI
InChI=1S/C6H7NO3S/c1-3-4(10-2)7-5(11-3)6(8)9/h1-2H3,(H,8,9)
InChIKey
NPJPKEYDHAOWHA-UHFFFAOYSA-N
Compound name
4-methoxy-5-methyl-1,3-thiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.01466 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.021936 132.5
[M+Na]+ 196.003878 142.6
[M-H]- 172.007384 134.7
[M+NH4]+ 191.048483 153.6
[M+K]+ 211.977818 141.1
[M+H-H2O]+ 156.011920 127.4
[M+HCOO]- 218.012861 150.5
[M+CH3COO]- 232.028511 174.5
[M+Na-2H]- 193.989326 133.6
[M]+ 173.01411142 136.7
[M]- 173.01520858 136.7
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.