CID 3752995

Potassium 2-(benzylamino)-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
C1=CC=C(C=C1)CNC2=NC(=CS2)C(=O)O
InChI
InChI=1S/C11H10N2O2S/c14-10(15)9-7-16-11(13-9)12-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)(H,14,15)
InChIKey
XKFYNYLHAGNTQF-UHFFFAOYSA-N
Compound name
2-(benzylamino)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

234.0463 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05358 149.2
[M+Na]+ 257.03552 157.0
[M-H]- 233.03902 153.9
[M+NH4]+ 252.08012 166.9
[M+K]+ 273.00946 153.0
[M+H-H2O]+ 217.04356 142.2
[M+HCOO]- 279.04450 168.2
[M+CH3COO]- 293.06015 186.8
[M+Na-2H]- 255.02097 151.6
[M]+ 234.04575 150.3
[M]- 234.04685 150.3
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