CID 28875553

1086380-07-5

Structural Information

Molecular Formula
C6H7NO3S
SMILES
COCC1=NC(=CS1)C(=O)O
InChI
InChI=1S/C6H7NO3S/c1-10-2-5-7-4(3-11-5)6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKey
PIAYLONXKHUMGZ-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

173.01466 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.021936 133.2
[M+Na]+ 196.003878 142.4
[M-H]- 172.007384 135.0
[M+NH4]+ 191.048483 154.0
[M+K]+ 211.977818 141.0
[M+H-H2O]+ 156.011920 127.7
[M+HCOO]- 218.012861 151.3
[M+CH3COO]- 232.028511 173.3
[M+Na-2H]- 193.989326 134.9
[M]+ 173.01411142 137.0
[M]- 173.01520858 137.0
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

patents stripe