CID 16205542

84930-12-1

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

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

InChI

InChI=1S/C11H20O2/c1-9-6-10(13-5-4-12)8-11(2,3)7-9/h4,9-10H,5-8H2,1-3H3

InChIKey

ZLVIQMAJLGHJFG-UHFFFAOYSA-N

Compound name

2-(3,3,5-trimethylcyclohexyl)oxyacetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.14633 Da
Monoisotopic Mass: 2.7
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]+	185.153606	141.0
[M+Na]+	207.135548	147.5
[M-H]-	183.139054	144.3
[M+NH4]+	202.180153	163.3
[M+K]+	223.109488	146.6
[M+H-H2O]+	167.143590	136.5
[M+HCOO]-	229.144531	161.2
[M+CH3COO]-	243.160181	183.5
[M+Na-2H]-	205.120996	145.2
[M]+	184.14578142	140.7
[M]-	184.14687858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.