CID 99609563

Methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C7H9NO3S
SMILES
CC1=C(SC(=N1)CO)C(=O)OC
InChI
InChI=1S/C7H9NO3S/c1-4-6(7(10)11-2)12-5(3-9)8-4/h9H,3H2,1-2H3
InChIKey
DUMGEYJJANRQNA-UHFFFAOYSA-N
Compound name
methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

187.03032 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.037596 137.3
[M+Na]+ 210.019538 147.0
[M-H]- 186.023044 139.3
[M+NH4]+ 205.064143 157.9
[M+K]+ 225.993478 145.3
[M+H-H2O]+ 170.027580 132.0
[M+HCOO]- 232.028521 155.0
[M+CH3COO]- 246.044171 176.9
[M+Na-2H]- 208.004986 137.8
[M]+ 187.02977142 141.7
[M]- 187.03086858 141.7
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