CID 59295463

933782-03-7

Structural Information

Molecular Formula
C5H6BrNOS
SMILES
CC1=C(SC(=N1)Br)CO
InChI
InChI=1S/C5H6BrNOS/c1-3-4(2-8)9-5(6)7-3/h8H,2H2,1H3
InChIKey
XLVPVZKGRKXLIA-UHFFFAOYSA-N
Compound name
(2-bromo-4-methyl-1,3-thiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

206.93535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.942626 126.7
[M+Na]+ 229.924568 141.2
[M-H]- 205.928074 131.8
[M+NH4]+ 224.969173 150.5
[M+K]+ 245.898508 130.0
[M+H-H2O]+ 189.932610 127.8
[M+HCOO]- 251.933551 143.6
[M+CH3COO]- 265.949201 178.4
[M+Na-2H]- 227.910016 131.3
[M]+ 206.93480142 147.5
[M]- 206.93589858 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