CID 21942793

496062-16-9

Structural Information

Molecular Formula
C6H8BrNOS
SMILES
CC1=C(N=C(S1)Br)CCO
InChI
InChI=1S/C6H8BrNOS/c1-4-5(2-3-9)8-6(7)10-4/h9H,2-3H2,1H3
InChIKey
FHZBITCNTMZGLI-UHFFFAOYSA-N
Compound name
2-(2-bromo-5-methyl-1,3-thiazol-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

220.951 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.95828 133.8
[M+Na]+ 243.94022 135.9
[M+NH4]+ 238.98482 138.8
[M+K]+ 259.91416 136.4
[M-H]- 219.94372 133.3
[M+Na-2H]- 241.92567 135.5
[M]+ 220.95045 133.0
[M]- 220.95155 133.0
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