CID 154814481

2,2-dimethoxyspiro[3.5]nonane-7-carbaldehyde

Structural Information

Molecular Formula

C₁₂H₂₀O₃

SMILES

COC1(CC2(C1)CCC(CC2)C=O)OC

InChI

InChI=1S/C12H20O3/c1-14-12(15-2)8-11(9-12)5-3-10(7-13)4-6-11/h7,10H,3-6,8-9H2,1-2H3

InChIKey

ZBFUJUYHYGLKIB-UHFFFAOYSA-N

Compound name

2,2-dimethoxyspiro[3.5]nonane-7-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.14125 Da
Monoisotopic Mass: 1.6
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]+	213.148526	144.8
[M+Na]+	235.130468	149.9
[M-H]-	211.133974	150.1
[M+NH4]+	230.175073	161.3
[M+K]+	251.104408	151.9
[M+H-H2O]+	195.138510	136.0
[M+HCOO]-	257.139451	163.2
[M+CH3COO]-	271.155101	188.9
[M+Na-2H]-	233.115916	150.6
[M]+	212.14070142	152.8
[M]-	212.14179858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe