CID 126997189

1936379-34-8

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1CC(CC(C1)(C=O)OC)C

InChI

InChI=1S/C10H18O2/c1-8-4-9(2)6-10(5-8,7-11)12-3/h7-9H,4-6H2,1-3H3

InChIKey

ANFWOIFXPZFMML-UHFFFAOYSA-N

Compound name

1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.13068 Da
Monoisotopic Mass: 2.1
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]+	171.137956	136.4
[M+Na]+	193.119898	143.4
[M-H]-	169.123404	140.0
[M+NH4]+	188.164503	159.3
[M+K]+	209.093838	142.7
[M+H-H2O]+	153.127940	132.1
[M+HCOO]-	215.128881	157.0
[M+CH3COO]-	229.144531	180.5
[M+Na-2H]-	191.105346	141.2
[M]+	170.13013142	135.7
[M]-	170.13122858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.