CID 459116

91192-36-8

Structural Information

Molecular Formula

C₉H₈N₂O₂S

SMILES

C1=CC=C2C(=C1)N=C(S2)NCC(=O)O

InChI

InChI=1S/C9H8N2O2S/c12-8(13)5-10-9-11-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,10,11)(H,12,13)

InChIKey

NQWYPNHFJRHOKO-UHFFFAOYSA-N

Compound name

2-(1,3-benzothiazol-2-ylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 208.03065 Da
Monoisotopic Mass: 2.2
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]+	209.03793	141.0
[M+Na]+	231.01987	152.3
[M+NH4]+	226.06447	149.4
[M+K]+	246.99381	146.6
[M-H]-	207.02337	142.5
[M+Na-2H]-	229.00532	146.5
[M]+	208.03010	143.3
[M]-	208.03120	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe