CID 13300011

22228-23-5

Structural Information

Molecular Formula

C₁₁H₁₀O

SMILES

C1CC12CC3=CC=CC=C3C2=O

InChI

InChI=1S/C11H10O/c12-10-9-4-2-1-3-8(9)7-11(10)5-6-11/h1-4H,5-7H2

InChIKey

GKZPWJCAKGHVSS-UHFFFAOYSA-N

Compound name

spiro[3H-indene-2,1'-cyclopropane]-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 158.07317 Da
Monoisotopic Mass: 2.0
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]+	159.08045	133.2
[M+Na]+	181.06239	144.7
[M-H]-	157.06589	141.2
[M+NH4]+	176.10699	154.4
[M+K]+	197.03633	141.3
[M+H-H2O]+	141.07043	128.3
[M+HCOO]-	203.07137	156.3
[M+CH3COO]-	217.08702	147.9
[M+Na-2H]-	179.04784	140.9
[M]+	158.07262	135.1
[M]-	158.07372	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe