CID 438674

Nsc658195

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C1=CC=C2C(=C1)C(=CN2)C(C(=O)O)N

InChI

InChI=1S/C10H10N2O2/c11-9(10(13)14)7-5-12-8-4-2-1-3-6(7)8/h1-5,9,12H,11H2,(H,13,14)

InChIKey

AIZGBPJAKQNCSD-UHFFFAOYSA-N

Compound name

2-amino-2-(1H-indol-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 184
Patents: 190.07423 Da
Monoisotopic Mass: -1.4
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]+	191.08151	138.8
[M+Na]+	213.06345	146.9
[M-H]-	189.06695	139.5
[M+NH4]+	208.10805	157.9
[M+K]+	229.03739	143.2
[M+H-H2O]+	173.07149	132.8
[M+HCOO]-	235.07243	159.8
[M+CH3COO]-	249.08808	179.5
[M+Na-2H]-	211.04890	143.5
[M]+	190.07368	136.4
[M]-	190.07478	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe