CID 121307713

Refchem:816047

Structural Information

Molecular Formula
C6H7NO3S
SMILES
COC(=O)C1=NC(=CS1)CO
InChI
InChI=1S/C6H7NO3S/c1-10-6(9)5-7-4(2-8)3-11-5/h3,8H,2H2,1H3
InChIKey
QKXGPOVKFPIBME-UHFFFAOYSA-N
Compound name
methyl 4-(hydroxymethyl)-1,3-thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

173.01466 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.02194 133.4
[M+Na]+ 196.00388 142.7
[M-H]- 172.00738 135.3
[M+NH4]+ 191.04848 154.3
[M+K]+ 211.97782 141.3
[M+H-H2O]+ 156.01192 128.0
[M+HCOO]- 218.01286 151.5
[M+CH3COO]- 232.02851 172.7
[M+Na-2H]- 193.98933 135.1
[M]+ 173.01411 137.2
[M]- 173.01521 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

No literature data available for this compound.

Patent stripe

patents stripe