CID 165589850

2-bromo-4-(2,2-dimethylpropyl)-1,3-thiazole

Structural Information

Molecular Formula
C8H12BrNS
SMILES
CC(C)(C)CC1=CSC(=N1)Br
InChI
InChI=1S/C8H12BrNS/c1-8(2,3)4-6-5-11-7(9)10-6/h5H,4H2,1-3H3
InChIKey
KEAGHQKQFBORHE-UHFFFAOYSA-N
Compound name
2-bromo-4-(2,2-dimethylpropyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.98738 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.99466 138.9
[M+Na]+ 255.97660 152.6
[M-H]- 231.98010 145.0
[M+NH4]+ 251.02120 162.5
[M+K]+ 271.95054 141.6
[M+H-H2O]+ 215.98464 140.0
[M+HCOO]- 277.98558 154.9
[M+CH3COO]- 292.00123 186.1
[M+Na-2H]- 253.96205 143.7
[M]+ 232.98683 160.4
[M]- 232.98793 160.4
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.