CID 84120519

1092506-38-1

Structural Information

Molecular Formula
C5H6BrNOS
SMILES
CC1=NC(=C(S1)Br)CO
InChI
InChI=1S/C5H6BrNOS/c1-3-7-4(2-8)5(6)9-3/h8H,2H2,1H3
InChIKey
DOYOCBDRIICRGX-UHFFFAOYSA-N
Compound name
(5-bromo-2-methyl-1,3-thiazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.93535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.94263 126.7
[M+Na]+ 229.92457 141.2
[M-H]- 205.92807 131.8
[M+NH4]+ 224.96917 150.5
[M+K]+ 245.89851 130.0
[M+H-H2O]+ 189.93261 127.8
[M+HCOO]- 251.93355 143.6
[M+CH3COO]- 265.94920 178.4
[M+Na-2H]- 227.91002 131.3
[M]+ 206.93480 147.5
[M]- 206.93590 147.5
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

patents stripe