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]+ 178.00879 132.2
[M+Na]+ 199.99073 143.7
[M-H]- 175.99423 135.7
[M+NH4]+ 195.03533 155.0
[M+K]+ 215.96467 140.6
[M+H-H2O]+ 159.99877 127.7
[M+HCOO]- 221.99971 147.5
[M+CH3COO]- 236.01536 177.1
[M+Na-2H]- 197.97618 134.2
[M]+ 177.00096 138.4
[M]- 177.00206 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.