CID 155943415

2613381-59-0

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 135.5
[M+Na]+ 258.91472 135.7
[M+NH4]+ 253.95932 139.2
[M+K]+ 274.88866 138.0
[M-H]- 234.91822 134.2
[M+Na-2H]- 256.90017 136.1
[M]+ 235.92495 134.0
[M]- 235.92605 134.0
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.