CID 58237899

934554-40-2

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

C1CC2(C1)CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C12H12O2/c13-10-8-12(6-3-7-12)14-11-5-2-1-4-9(10)11/h1-2,4-5H,3,6-8H2

InChIKey

VAHPFHDJAVFATB-UHFFFAOYSA-N

Compound name

spiro[3H-chromene-2,1'-cyclobutane]-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 188.08372 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]+	189.09100	131.0
[M+Na]+	211.07294	138.2
[M-H]-	187.07644	138.3
[M+NH4]+	206.11754	146.4
[M+K]+	227.04688	139.7
[M+H-H2O]+	171.08098	120.8
[M+HCOO]-	233.08192	149.9
[M+CH3COO]-	247.09757	184.4
[M+Na-2H]-	209.05839	140.7
[M]+	188.08317	138.1
[M]-	188.08427	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe