CID 11535888

133972-63-1

Structural Information

Molecular Formula

C₁₀H₈N₂O₂S

SMILES

C1=CC=C(C=C1)NC2=NC=C(S2)C(=O)O

InChI

InChI=1S/C10H8N2O2S/c13-9(14)8-6-11-10(15-8)12-7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)

InChIKey

JVDCBFYWWGXIRC-UHFFFAOYSA-N

Compound name

2-anilino-1,3-thiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 220.03065 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.03793	145.5
[M+Na]+	243.01987	156.7
[M+NH4]+	238.06447	153.6
[M+K]+	258.99381	151.1
[M-H]-	219.02337	148.4
[M+Na-2H]-	241.00532	152.6
[M]+	220.03010	148.2
[M]-	220.03120	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe