CID 10855919

(r)-1,4-dioxaspiro[4.5]decane-2-carboxaldehyde

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

C1CCC2(CC1)OC[C@@H](O2)C=O

InChI

InChI=1S/C9H14O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h6,8H,1-5,7H2/t8-/m0/s1

InChIKey

FFGZPNNLXMQFMO-QMMMGPOBSA-N

Compound name

(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 170.0943 Da
Monoisotopic Mass: 1.0
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]+	171.10158	134.8
[M+Na]+	193.08352	140.3
[M-H]-	169.08702	140.9
[M+NH4]+	188.12812	156.1
[M+K]+	209.05746	141.5
[M+H-H2O]+	153.09156	130.0
[M+HCOO]-	215.09250	153.3
[M+CH3COO]-	229.10815	174.0
[M+Na-2H]-	191.06897	141.6
[M]+	170.09375	131.5
[M]-	170.09485	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe