CID 20587895

156232-57-4

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

C1CCC2(CC1)C3=C(C=CC(=C3)N)NC2=O

InChI

InChI=1S/C13H16N2O/c14-9-4-5-11-10(8-9)13(12(16)15-11)6-2-1-3-7-13/h4-5,8H,1-3,6-7,14H2,(H,15,16)

InChIKey

HQQMWMAGFGCMAK-UHFFFAOYSA-N

Compound name

5-aminospiro[1H-indole-3,1'-cyclohexane]-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 216.12627 Da
Monoisotopic Mass: 2.1
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]+	217.13355	149.2
[M+Na]+	239.11549	159.7
[M+NH4]+	234.16009	159.7
[M+K]+	255.08943	153.0
[M-H]-	215.11899	152.3
[M+Na-2H]-	237.10094	155.1
[M]+	216.12572	151.5
[M]-	216.12682	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe