CID 106866

67845-30-1

Structural Information

Molecular Formula

C₁₃H₂₀O

SMILES

CC1=CC2CC(C1CC2C(C)C)C=O

InChI

InChI=1S/C13H20O/c1-8(2)12-6-13-9(3)4-10(12)5-11(13)7-14/h4,7-8,10-13H,5-6H2,1-3H3

InChIKey

OWFZJSXGDOTWSH-UHFFFAOYSA-N

Compound name

6-methyl-8-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 651
Patents: 192.15141 Da
Monoisotopic Mass: 2.6
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]+	193.15869	140.7
[M+Na]+	215.14063	151.8
[M+NH4]+	210.18523	151.8
[M+K]+	231.11457	144.3
[M-H]-	191.14413	139.6
[M+Na-2H]-	213.12608	139.1
[M]+	192.15086	142.0
[M]-	192.15196	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe