CID 202984

5-(chloromethyl)-4-methyl-1,3-thiazole hydrochloride

Structural Information

Molecular Formula
C5H6ClNS
SMILES
CC1=C(SC=N1)CCl
InChI
InChI=1S/C5H6ClNS/c1-4-5(2-6)8-3-7-4/h3H,2H2,1H3
InChIKey
QYNYCFHHMAVVQB-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

146.99095 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.998226 124.9
[M+Na]+ 169.980168 136.1
[M-H]- 145.983674 128.2
[M+NH4]+ 165.024773 148.7
[M+K]+ 185.954108 132.9
[M+H-H2O]+ 129.988210 120.4
[M+HCOO]- 191.989151 140.3
[M+CH3COO]- 206.004801 171.1
[M+Na-2H]- 167.965616 127.9
[M]+ 146.99040142 128.9
[M]- 146.99149858 128.9
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