CID 71332494

101128-56-7

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

COC1CC2CC1C3C2C(CC3)C=O

InChI

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

InChIKey

RREOBHRRNCTKTL-UHFFFAOYSA-N

Compound name

8-methoxytricyclo[5.2.1.02,6]decane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 194.13068 Da
Monoisotopic Mass: 1.6
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]+	195.137956	147.9
[M+Na]+	217.119898	155.5
[M-H]-	193.123404	151.8
[M+NH4]+	212.164503	175.4
[M+K]+	233.093838	153.0
[M+H-H2O]+	177.127940	144.8
[M+HCOO]-	239.128881	167.7
[M+CH3COO]-	253.144531	185.9
[M+Na-2H]-	215.105346	147.9
[M]+	194.13013142	148.1
[M]-	194.13122858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe