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: 3
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]+	159.080446	133.2
[M+Na]+	181.062388	144.7
[M-H]-	157.065894	141.2
[M+NH4]+	176.106993	154.4
[M+K]+	197.036328	141.3
[M+H-H2O]+	141.070430	128.3
[M+HCOO]-	203.071371	156.3
[M+CH3COO]-	217.087021	147.9
[M+Na-2H]-	179.047836	140.9
[M]+	158.07262142	135.1
[M]-	158.07371858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe