CID 23398461

100245-79-2

Structural Information

Molecular Formula
C6H8BrNS
SMILES
CC1=C(N=C(S1)C)CBr
InChI
InChI=1S/C6H8BrNS/c1-4-6(3-7)8-5(2)9-4/h3H2,1-2H3
InChIKey
DOICGMYPJGJZJY-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2,5-dimethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

204.95609 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.963366 127.1
[M+Na]+ 227.945308 142.0
[M-H]- 203.948814 133.5
[M+NH4]+ 222.989913 151.8
[M+K]+ 243.919248 131.1
[M+H-H2O]+ 187.953350 128.2
[M+HCOO]- 249.954291 145.0
[M+CH3COO]- 263.969941 181.9
[M+Na-2H]- 225.930756 131.7
[M]+ 204.95554142 148.8
[M]- 204.95663858 148.8
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