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]+ 236.93278 133.2
[M+Na]+ 258.91472 146.3
[M-H]- 234.91822 137.5
[M+NH4]+ 253.95932 154.7
[M+K]+ 274.88866 134.4
[M+H-H2O]+ 218.92276 133.0
[M+HCOO]- 280.92370 149.6
[M+CH3COO]- 294.93935 184.2
[M+Na-2H]- 256.90017 136.2
[M]+ 235.92495 152.2
[M]- 235.92605 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.