CID 446640

Indole-3-acetylglycine

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

2
Annotation Hits: 3
References: 57
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]+	233.092076	149.5
[M+Na]+	255.074018	156.9
[M-H]-	231.077524	150.5
[M+NH4]+	250.118623	167.1
[M+K]+	271.047958	153.1
[M+H-H2O]+	215.082060	143.0
[M+HCOO]-	277.083001	170.9
[M+CH3COO]-	291.098651	186.8
[M+Na-2H]-	253.059466	154.3
[M]+	232.08425142	149.5
[M]-	232.08534858	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe