CID 121015481

67688-27-1

Structural Information

Molecular Formula

C₁₂H₁₂O

SMILES

C1CC2(CC2)C3=CC=CC=C3C1=O

InChI

InChI=1S/C12H12O/c13-11-5-6-12(7-8-12)10-4-2-1-3-9(10)11/h1-4H,5-8H2

InChIKey

PWXZLGVZNJPXIV-UHFFFAOYSA-N

Compound name

spiro[2,3-dihydronaphthalene-4,1'-cyclopropane]-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 172.08882 Da
Monoisotopic Mass: 2.7
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]+	173.09610	138.0
[M+Na]+	195.07804	148.1
[M-H]-	171.08154	145.5
[M+NH4]+	190.12264	156.8
[M+K]+	211.05198	145.1
[M+H-H2O]+	155.08608	132.1
[M+HCOO]-	217.08702	158.9
[M+CH3COO]-	231.10267	151.5
[M+Na-2H]-	193.06349	146.6
[M]+	172.08827	138.1
[M]-	172.08937	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe