CID 581813

2-hydroxy-4-methyl-5.beta.-chloro-ethylthiazole

Structural Information

Molecular Formula
C6H8ClNOS
SMILES
CC1=C(SC(=O)N1)CCCl
InChI
InChI=1S/C6H8ClNOS/c1-4-5(2-3-7)10-6(9)8-4/h2-3H2,1H3,(H,8,9)
InChIKey
HJLZTYJNTROXOS-UHFFFAOYSA-N
Compound name
5-(2-chloroethyl)-4-methyl-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

177.00151 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.008786 132.5
[M+Na]+ 199.990728 143.8
[M-H]- 175.994234 134.5
[M+NH4]+ 195.035333 154.5
[M+K]+ 215.964668 139.1
[M+H-H2O]+ 159.998770 128.3
[M+HCOO]- 221.999711 146.4
[M+CH3COO]- 236.015361 173.6
[M+Na-2H]- 197.976176 133.9
[M]+ 177.00096142 136.0
[M]- 177.00205858 136.0
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