CID 17955381

1245568-73-3

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C1=CC(=C2C=CN(C2=C1)CC(=O)O)N

InChI

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

InChIKey

FBUKGBFOOAVIJN-UHFFFAOYSA-N

Compound name

2-(4-aminoindol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 190.07423 Da
Monoisotopic Mass: 1.0
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	137.9
[M+Na]+	213.06345	147.7
[M-H]-	189.06695	140.4
[M+NH4]+	208.10805	158.2
[M+K]+	229.03739	144.3
[M+H-H2O]+	173.07149	131.8
[M+HCOO]-	235.07243	161.5
[M+CH3COO]-	249.08808	182.2
[M+Na-2H]-	211.04890	143.6
[M]+	190.07368	138.5
[M]-	190.07478	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe