CID 3065050

106487-32-5

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

C1CC(CNC1)C2=C3CC(=O)NC3=C(C=C2)O

InChI

InChI=1S/C13H16N2O2/c16-11-4-3-9(8-2-1-5-14-7-8)10-6-12(17)15-13(10)11/h3-4,8,14,16H,1-2,5-7H2,(H,15,17)

InChIKey

NQZIIPXLHPNRJO-UHFFFAOYSA-N

Compound name

7-hydroxy-4-piperidin-3-yl-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 232.12119 Da
Monoisotopic Mass: 0.5
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]+	233.128466	153.5
[M+Na]+	255.110408	159.5
[M-H]-	231.113914	153.9
[M+NH4]+	250.155013	169.3
[M+K]+	271.084348	153.6
[M+H-H2O]+	215.118450	146.2
[M+HCOO]-	277.119391	166.5
[M+CH3COO]-	291.135041	163.1
[M+Na-2H]-	253.095856	154.9
[M]+	232.12064142	145.0
[M]-	232.12173858	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe