CID 10192617

Indantadol

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1C(CC2=CC=CC=C21)NCC(=O)N

InChI

InChI=1S/C11H14N2O/c12-11(14)7-13-10-5-8-3-1-2-4-9(8)6-10/h1-4,10,13H,5-7H2,(H2,12,14)

InChIKey

MNLULKBKWKTZPE-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1H-inden-2-ylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 20
References: 753
Patents: 190.11061 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]+	191.117886	140.4
[M+Na]+	213.099828	146.4
[M-H]-	189.103334	144.2
[M+NH4]+	208.144433	161.8
[M+K]+	229.073768	143.5
[M+H-H2O]+	173.107870	134.3
[M+HCOO]-	235.108811	164.3
[M+CH3COO]-	249.124461	187.4
[M+Na-2H]-	211.085276	145.2
[M]+	190.11006142	137.1
[M]-	190.11115858	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe