CID 163529

Scentenal

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

COC1CC2CC1C3C2CC(C3)C=O

InChI

InChI=1S/C12H18O2/c1-14-12-5-8-4-11(12)10-3-7(6-13)2-9(8)10/h6-12H,2-5H2,1H3

InChIKey

UOGMZEGKCNHMBF-UHFFFAOYSA-N

Compound name

8-methoxytricyclo[5.2.1.02,6]decane-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 978
Patents: 194.13068 Da
Monoisotopic Mass: 1.4
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]+	195.13796	147.9
[M+Na]+	217.11990	155.5
[M-H]-	193.12340	151.8
[M+NH4]+	212.16450	175.4
[M+K]+	233.09384	153.0
[M+H-H2O]+	177.12794	144.8
[M+HCOO]-	239.12888	167.7
[M+CH3COO]-	253.14453	185.9
[M+Na-2H]-	215.10535	147.9
[M]+	194.13013	148.1
[M]-	194.13123	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe