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]+ 249.95318 140.8
[M+Na]+ 271.93512 154.7
[M-H]- 247.93862 151.2
[M+NH4]+ 266.97972 162.7
[M+K]+ 287.90906 147.2
[M+H-H2O]+ 231.94316 142.7
[M+HCOO]- 293.94410 157.2
[M+CH3COO]- 307.95975 157.4
[M+Na-2H]- 269.92057 144.2
[M]+ 248.94535 162.5
[M]- 248.94645 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.