CID 6428752

61382-53-4

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1(CCCC(C1)CC=O)C

InChI

InChI=1S/C10H18O/c1-10(2)6-3-4-9(8-10)5-7-11/h7,9H,3-6,8H2,1-2H3

InChIKey

BDNFKTJPCKWKHE-UHFFFAOYSA-N

Compound name

2-(3,3-dimethylcyclohexyl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 154.13577 Da
Monoisotopic Mass: 3.0
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]+	155.14305	136.2
[M+Na]+	177.12499	147.4
[M+NH4]+	172.16959	146.8
[M+K]+	193.09893	138.6
[M-H]-	153.12849	138.5
[M+Na-2H]-	175.11044	142.8
[M]+	154.13522	138.5
[M]-	154.13632	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe