CID 83826239

6-oxaspiro[2.5]octane-1-carbaldehyde

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1COCCC12CC2C=O

InChI

InChI=1S/C8H12O2/c9-6-7-5-8(7)1-3-10-4-2-8/h6-7H,1-5H2

InChIKey

VJZKNWVOWWVSRR-UHFFFAOYSA-N

Compound name

6-oxaspiro[2.5]octane-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 140.08372 Da
Monoisotopic Mass: 0.3
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]+	141.09100	132.1
[M+Na]+	163.07294	144.9
[M+NH4]+	158.11754	143.3
[M+K]+	179.04688	138.7
[M-H]-	139.07644	143.0
[M+Na-2H]-	161.05839	141.4
[M]+	140.08317	138.3
[M]-	140.08427	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe