CID 139022366

2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole

Structural Information

Molecular Formula
C6H8ClNOS
SMILES
CC1=C(N=C(S1)CCl)OC
InChI
InChI=1S/C6H8ClNOS/c1-4-6(9-2)8-5(3-7)10-4/h3H2,1-2H3
InChIKey
XZWJVPSNWIMKLS-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.00151 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.008786 132.2
[M+Na]+ 199.990728 143.7
[M-H]- 175.994234 135.7
[M+NH4]+ 195.035333 155.0
[M+K]+ 215.964668 140.6
[M+H-H2O]+ 159.998770 127.7
[M+HCOO]- 221.999711 147.5
[M+CH3COO]- 236.015361 177.1
[M+Na-2H]- 197.976176 134.2
[M]+ 177.00096142 138.4
[M]- 177.00205858 138.4
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

No patent data available for this compound.