CID 363343

41058-67-7

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

C1CCC2(C1)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C12H13NO/c14-11-12(7-3-4-8-12)9-5-1-2-6-10(9)13-11/h1-2,5-6H,3-4,7-8H2,(H,13,14)

InChIKey

WFPNMCKAQLBEMD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 187.09972 Da
Monoisotopic Mass: 2.2
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	150.6
[M-H]-	186.09244	146.4
[M+NH4]+	205.13354	166.8
[M+K]+	226.06288	146.1
[M+H-H2O]+	170.09698	136.5
[M+HCOO]-	232.09792	162.1
[M+CH3COO]-	246.11357	155.2
[M+Na-2H]-	208.07439	146.3
[M]+	187.09917	137.6
[M]-	187.10027	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe