CID 84130886

(5-bromo-2-ethyl-1,3-thiazol-4-yl)methanol

Structural Information

Molecular Formula
C6H8BrNOS
SMILES
CCC1=NC(=C(S1)Br)CO
InChI
InChI=1S/C6H8BrNOS/c1-2-5-8-4(3-9)6(7)10-5/h9H,2-3H2,1H3
InChIKey
DOIHQIFKLFBQMG-UHFFFAOYSA-N
Compound name
(5-bromo-2-ethyl-1,3-thiazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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