CID 121207541

5,8-dioxaspiro[3.4]octane-2-carbaldehyde

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

C1COC2(O1)CC(C2)C=O

InChI

InChI=1S/C7H10O3/c8-5-6-3-7(4-6)9-1-2-10-7/h5-6H,1-4H2

InChIKey

MACODSSJUUMKOE-UHFFFAOYSA-N

Compound name

5,8-dioxaspiro[3.4]octane-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 142.06299 Da
Monoisotopic Mass: -0.4
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]+	143.07027	116.6
[M+Na]+	165.05221	122.6
[M-H]-	141.05571	123.6
[M+NH4]+	160.09681	133.0
[M+K]+	181.02615	127.4
[M+H-H2O]+	125.06025	108.8
[M+HCOO]-	187.06119	137.0
[M+CH3COO]-	201.07684	173.2
[M+Na-2H]-	163.03766	125.6
[M]+	142.06244	125.4
[M]-	142.06354	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe