CID 18504699

101084-95-1

Structural Information

Molecular Formula

C₈H₆N₂O₂S

SMILES

C1=CC2=C(C=C1C(=O)O)N=C(S2)N

InChI

InChI=1S/C8H6N2O2S/c9-8-10-5-3-4(7(11)12)1-2-6(5)13-8/h1-3H,(H2,9,10)(H,11,12)

InChIKey

RPSPJTVLMPMYKL-UHFFFAOYSA-N

Compound name

2-amino-1,3-benzothiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 194.015 Da
Monoisotopic Mass: 1.6
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]+	195.02228	136.9
[M+Na]+	217.00422	148.5
[M+NH4]+	212.04882	145.3
[M+K]+	232.97816	143.5
[M-H]-	193.00772	138.3
[M+Na-2H]-	214.98967	141.9
[M]+	194.01445	139.2
[M]-	194.01555	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe