CID 581758

45657-12-3

Structural Information

Molecular Formula
C6H9NOS
SMILES
CC1=C(SC=N1)C(C)O
InChI
InChI=1S/C6H9NOS/c1-4-6(5(2)8)9-3-7-4/h3,5,8H,1-2H3
InChIKey
NKLZSLYZLRJWOY-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,3-thiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

294
Patents

143.04048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.047756 127.5
[M+Na]+ 166.029698 136.8
[M-H]- 142.033204 129.3
[M+NH4]+ 161.074303 149.8
[M+K]+ 182.003638 135.1
[M+H-H2O]+ 126.037740 122.3
[M+HCOO]- 188.038681 144.9
[M+CH3COO]- 202.054331 170.2
[M+Na-2H]- 164.015146 129.0
[M]+ 143.03993142 129.2
[M]- 143.04102858 129.2
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