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: 8
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]+	141.090996	130.4
[M+Na]+	163.072938	138.8
[M-H]-	139.076444	137.5
[M+NH4]+	158.117543	148.0
[M+K]+	179.046878	139.4
[M+H-H2O]+	123.080980	125.0
[M+HCOO]-	185.081921	150.4
[M+CH3COO]-	199.097571	174.7
[M+Na-2H]-	161.058386	139.0
[M]+	140.08317142	130.8
[M]-	140.08426858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe