CID 165737558

Methyl2-(chloromethyl)-5-methyl-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C7H8ClNO2S
SMILES
CC1=C(N=C(S1)CCl)C(=O)OC
InChI
InChI=1S/C7H8ClNO2S/c1-4-6(7(10)11-2)9-5(3-8)12-4/h3H2,1-2H3
InChIKey
NKCWMEZDHNNWIV-UHFFFAOYSA-N
Compound name
methyl 2-(chloromethyl)-5-methyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.99643 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.00371 139.4
[M+Na]+ 227.98565 150.4
[M-H]- 203.98915 142.9
[M+NH4]+ 223.03025 160.9
[M+K]+ 243.95959 147.3
[M+H-H2O]+ 187.99369 134.8
[M+HCOO]- 249.99463 153.8
[M+CH3COO]- 264.01028 181.3
[M+Na-2H]- 225.97110 139.9
[M]+ 204.99588 146.0
[M]- 204.99698 146.0
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

No patent data available for this compound.