CID 136169285

Ethyl 2-(bromomethyl)-4-hydroxy-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C7H8BrNO3S
SMILES
CCOC(=O)C1=C(N=C(S1)CBr)O
InChI
InChI=1S/C7H8BrNO3S/c1-2-12-7(11)5-6(10)9-4(3-8)13-5/h10H,2-3H2,1H3
InChIKey
CPPSWKMAKQOSMM-UHFFFAOYSA-N
Compound name
ethyl 2-(bromomethyl)-4-hydroxy-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

264.94083 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.94811 140.9
[M+Na]+ 287.93005 154.1
[M-H]- 263.93355 145.7
[M+NH4]+ 282.97465 162.1
[M+K]+ 303.90399 143.1
[M+H-H2O]+ 247.93809 141.3
[M+HCOO]- 309.93903 156.8
[M+CH3COO]- 323.95468 187.1
[M+Na-2H]- 285.91550 143.7
[M]+ 264.94028 163.7
[M]- 264.94138 163.7
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