CID 22121308

725738-57-8

Structural Information

Molecular Formula
C5H6BrNS
SMILES
CC1=NC(=CS1)CBr
InChI
InChI=1S/C5H6BrNS/c1-4-7-5(2-6)3-8-4/h3H,2H2,1H3
InChIKey
HCPDMNGEYVWAAY-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

190.94043 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.947706 123.2
[M+Na]+ 213.929648 137.8
[M-H]- 189.933154 129.5
[M+NH4]+ 208.974253 148.2
[M+K]+ 229.903588 127.2
[M+H-H2O]+ 173.937690 124.3
[M+HCOO]- 235.938631 141.6
[M+CH3COO]- 249.954281 178.1
[M+Na-2H]- 211.915096 129.0
[M]+ 190.93988142 144.3
[M]- 190.94097858 144.3
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