CID 137838526

5-bromo-2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole

Structural Information

Molecular Formula
C7H8BrNO2S
SMILES
CC1=C(SC(=N1)C2OCCO2)Br
InChI
InChI=1S/C7H8BrNO2S/c1-4-5(8)12-6(9-4)7-10-2-3-11-7/h7H,2-3H2,1H3
InChIKey
VIMHPXOJYAOODF-UHFFFAOYSA-N
Compound name
5-bromo-2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.9459 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.953176 140.8
[M+Na]+ 271.935118 154.7
[M-H]- 247.938624 151.2
[M+NH4]+ 266.979723 162.7
[M+K]+ 287.909058 147.2
[M+H-H2O]+ 231.943160 142.7
[M+HCOO]- 293.944101 157.2
[M+CH3COO]- 307.959751 157.4
[M+Na-2H]- 269.920566 144.2
[M]+ 248.94535142 162.5
[M]- 248.94644858 162.5
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.