CID 56776737

90672-80-3

Structural Information

Molecular Formula
C5H6BrNS
SMILES
CC1=C(N=C(S1)C)Br
InChI
InChI=1S/C5H6BrNS/c1-3-5(6)7-4(2)8-3/h1-2H3
InChIKey
QVOKCMXADQNRPT-UHFFFAOYSA-N
Compound name
4-bromo-2,5-dimethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

190.94043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.947706 122.6
[M+Na]+ 213.929648 137.9
[M-H]- 189.933154 129.2
[M+NH4]+ 208.974253 147.8
[M+K]+ 229.903588 127.2
[M+H-H2O]+ 173.937690 123.8
[M+HCOO]- 235.938631 140.8
[M+CH3COO]- 249.954281 179.1
[M+Na-2H]- 211.915096 127.7
[M]+ 190.93988142 144.0
[M]- 190.94097858 144.0
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