CID 121307713

Schembl17716400

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 135.3
[M+Na]+ 196.00388 145.1
[M+NH4]+ 191.04848 142.6
[M+K]+ 211.97782 140.8
[M-H]- 172.00738 134.7
[M+Na-2H]- 193.98933 138.6
[M]+ 173.01411 136.7
[M]- 173.01521 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

patents stripe