CID 130026253

Refchem:507358

Structural Information

Molecular Formula

C₉H₁₆O₃

SMILES

COC1(CCC(CC1)C=O)OC

InChI

InChI=1S/C9H16O3/c1-11-9(12-2)5-3-8(7-10)4-6-9/h7-8H,3-6H2,1-2H3

InChIKey

GQEGMDWVLLDNQC-UHFFFAOYSA-N

Compound name

4,4-dimethoxycyclohexane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.10994 Da
Monoisotopic Mass: 0.6
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]+	173.11722	136.2
[M+Na]+	195.09916	142.5
[M-H]-	171.10266	139.4
[M+NH4]+	190.14376	158.5
[M+K]+	211.07310	142.6
[M+H-H2O]+	155.10720	131.5
[M+HCOO]-	217.10814	157.3
[M+CH3COO]-	231.12379	178.3
[M+Na-2H]-	193.08461	142.1
[M]+	172.10939	136.2
[M]-	172.11049	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe