CID 102701

1845-38-1

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

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

InChI

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

InChIKey

XOKRGEQPFOCUDY-UHFFFAOYSA-N

Compound name

3,3,5-trimethylcyclohexane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 154.13577 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]+	155.14305	135.4
[M+Na]+	177.12499	146.9
[M+NH4]+	172.16959	146.0
[M+K]+	193.09893	138.3
[M-H]-	153.12849	137.7
[M+Na-2H]-	175.11044	141.8
[M]+	154.13522	137.8
[M]-	154.13632	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe