CID 643480

4669-18-5

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

C1CCC2(C1)C(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C12H13NO/c14-11-9-5-1-2-6-10(9)13-12(11)7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2

InChIKey

KSVFQCQYLJVRRK-UHFFFAOYSA-N

Compound name

spiro[1H-indole-2,1'-cyclopentane]-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.09972 Da
Monoisotopic Mass: 2.5
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]+	188.10700	142.3
[M+Na]+	210.08894	153.1
[M+NH4]+	205.13354	153.4
[M+K]+	226.06288	148.0
[M-H]-	186.09244	144.6
[M+Na-2H]-	208.07439	148.3
[M]+	187.09917	144.5
[M]-	187.10027	144.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.