CID 446640

Indole-3-acetyl-gly

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

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

InChI

InChI=1S/C12H12N2O3/c15-11(14-7-12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6,13H,5,7H2,(H,14,15)(H,16,17)

InChIKey

YDXXLJMIHMIOIF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 61
Patents: 232.0848 Da
Monoisotopic Mass: 0.8
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]+	233.09208	150.5
[M+Na]+	255.07402	160.4
[M+NH4]+	250.11862	156.6
[M+K]+	271.04796	157.7
[M-H]-	231.07752	150.1
[M+Na-2H]-	253.05947	154.4
[M]+	232.08425	151.3
[M]-	232.08535	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe