CID 11073405

422318-78-3

Structural Information

Molecular Formula

C₈H₁₀O

SMILES

C1CC12C(C23CC3)C=O

InChI

InChI=1S/C8H10O/c9-5-6-7(1-2-7)8(6)3-4-8/h5-6H,1-4H2

InChIKey

UEKVKRRJOCIUOX-UHFFFAOYSA-N

Compound name

dispiro[2.0.24.13]heptane-7-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 122.073166 Da
Monoisotopic Mass: 1.4
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]+	123.080442	161.6
[M+Na]+	145.062384	166.3
[M-H]-	121.065890	168.3
[M+NH4]+	140.106989	168.0
[M+K]+	161.036324	169.8
[M+H-H2O]+	105.070426	158.6
[M+HCOO]-	167.071367	174.8
[M+CH3COO]-	181.087017	168.5
[M+Na-2H]-	143.047832	163.4
[M]+	122.07261742	165.5
[M]-	122.07371458	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe