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 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