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 131.1
[M+Na]+ 243.94022 145.3
[M-H]- 219.94372 136.1
[M+NH4]+ 238.98482 154.4
[M+K]+ 259.91416 133.8
[M+H-H2O]+ 203.94826 132.1
[M+HCOO]- 265.94920 147.8
[M+CH3COO]- 279.96485 181.2
[M+Na-2H]- 241.92567 135.3
[M]+ 220.95045 152.3
[M]- 220.95155 152.3
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