CID 155943415

5-(aminomethyl)-2-bromo-1,3-thiazole-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C5H5BrN2O2S
SMILES
C(C1=C(N=C(S1)Br)C(=O)O)N
InChI
InChI=1S/C5H5BrN2O2S/c6-5-8-3(4(9)10)2(1-7)11-5/h1,7H2,(H,9,10)
InChIKey
NHIUMRCPTZHPOH-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-2-bromo-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.9255 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.932776 133.2
[M+Na]+ 258.914718 146.3
[M-H]- 234.918224 137.5
[M+NH4]+ 253.959323 154.7
[M+K]+ 274.888658 134.4
[M+H-H2O]+ 218.922760 133.0
[M+HCOO]- 280.923701 149.6
[M+CH3COO]- 294.939351 184.2
[M+Na-2H]- 256.900166 136.2
[M]+ 235.92495142 152.2
[M]- 235.92604858 152.2
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

No patent data available for this compound.