CID 556422

7'-oxaspiro[cyclopropane-1,4'-tricyclo[3.3.1.0(6,8)]nonan-2'-one]

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

C1CC12CC(=O)C3CC2C4C3O4

InChI

InChI=1S/C10H12O2/c11-7-4-10(1-2-10)6-3-5(7)8-9(6)12-8/h5-6,8-9H,1-4H2

InChIKey

DCHIQXNOWCKXTH-UHFFFAOYSA-N

Compound name

spiro[3-oxatricyclo[3.3.1.02,4]nonane-8,1'-cyclopropane]-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.08372 Da
Monoisotopic Mass: 0.8
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]+	165.090996	148.2
[M+Na]+	187.072938	157.7
[M-H]-	163.076444	155.0
[M+NH4]+	182.117543	161.8
[M+K]+	203.046878	156.5
[M+H-H2O]+	147.080980	144.0
[M+HCOO]-	209.081921	161.6
[M+CH3COO]-	223.097571	159.0
[M+Na-2H]-	185.058386	153.2
[M]+	164.08317142	152.2
[M]-	164.08426858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.