CID 137943670

2287288-36-0

Structural Information

Molecular Formula
C6H10BrNS
SMILES
CC1=NC(CS1)(C)CBr
InChI
InChI=1S/C6H10BrNS/c1-5-8-6(2,3-7)4-9-5/h3-4H2,1-2H3
InChIKey
LVSNAGKWLMYOND-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2,4-dimethyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.97173 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.97901 127.0
[M+Na]+ 229.96095 140.8
[M-H]- 205.96445 133.0
[M+NH4]+ 225.00555 153.2
[M+K]+ 245.93489 130.4
[M+H-H2O]+ 189.96899 128.9
[M+HCOO]- 251.96993 143.7
[M+CH3COO]- 265.98558 180.8
[M+Na-2H]- 227.94640 132.8
[M]+ 206.97118 147.6
[M]- 206.97228 147.6
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.