CID 1136

4-methyl-5-thiazoleethanol

Structural Information

Molecular Formula
C6H9NOS
SMILES
CC1=C(SC=N1)CCO
InChI
InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
InChIKey
BKAWJIRCKVUVED-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,3-thiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

42
References

3297
Patents

143.04048 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.047756 127.0
[M+Na]+ 166.029698 136.6
[M-H]- 142.033204 128.7
[M+NH4]+ 161.074303 149.3
[M+K]+ 182.003638 134.4
[M+H-H2O]+ 126.037740 121.8
[M+HCOO]- 188.038681 145.5
[M+CH3COO]- 202.054331 169.4
[M+Na-2H]- 164.015146 129.6
[M]+ 143.03993142 129.3
[M]- 143.04102858 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe