CID 13842753

4-(chloromethyl)-3,5-dimethyl-1,2-thiazole hydrochloride

Structural Information

Molecular Formula
C6H8ClNS
SMILES
CC1=C(C(=NS1)C)CCl
InChI
InChI=1S/C6H8ClNS/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3
InChIKey
CQVJZRUGYKDFRZ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-3,5-dimethyl-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.00659 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01387 128.9
[M+Na]+ 183.99581 140.5
[M-H]- 159.99931 132.4
[M+NH4]+ 179.04041 152.4
[M+K]+ 199.96975 137.0
[M+H-H2O]+ 144.00385 124.5
[M+HCOO]- 206.00479 143.9
[M+CH3COO]- 220.02044 175.2
[M+Na-2H]- 181.98126 130.8
[M]+ 161.00604 133.6
[M]- 161.00714 133.6
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.