CID 83814761

4-bromo-5-methoxy-2-methyl-1,3-thiazole

Structural Information

Molecular Formula
C5H6BrNOS
SMILES
CC1=NC(=C(S1)OC)Br
InChI
InChI=1S/C5H6BrNOS/c1-3-7-4(6)5(8-2)9-3/h1-2H3
InChIKey
UFPAUVNWSDZXTR-UHFFFAOYSA-N
Compound name
4-bromo-5-methoxy-2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.93535 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.94263 125.7
[M+Na]+ 229.92457 140.8
[M-H]- 205.92807 132.3
[M+NH4]+ 224.96917 150.3
[M+K]+ 245.89851 130.5
[M+H-H2O]+ 189.93261 126.8
[M+HCOO]- 251.93355 144.2
[M+CH3COO]- 265.94920 180.9
[M+Na-2H]- 227.91002 130.9
[M]+ 206.93480 148.4
[M]- 206.93590 148.4
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.