CID 55265685

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

Structural Information

Molecular Formula
C6H8ClNS
SMILES
CC1=C(N=C(S1)C)CCl
InChI
InChI=1S/C6H8ClNS/c1-4-6(3-7)8-5(2)9-4/h3H2,1-2H3
InChIKey
UFFPXNDKNOKQGA-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2,5-dimethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

161.00659 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.013866 128.9
[M+Na]+ 183.995808 140.5
[M-H]- 159.999314 132.4
[M+NH4]+ 179.040413 152.4
[M+K]+ 199.969748 137.0
[M+H-H2O]+ 144.003850 124.5
[M+HCOO]- 206.004791 143.9
[M+CH3COO]- 220.020441 175.2
[M+Na-2H]- 181.981256 130.8
[M]+ 161.00604142 133.6
[M]- 161.00713858 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

patents stripe