CID 13919499

Geijerone

Structural Information

Molecular Formula

C₁₂H₁₈O

SMILES

CC(=C)C1CC(=O)CCC1(C)C=C

InChI

InChI=1S/C12H18O/c1-5-12(4)7-6-10(13)8-11(12)9(2)3/h5,11H,1-2,6-8H2,3-4H3

InChIKey

TYUCDLXRFGFSBR-UHFFFAOYSA-N

Compound name

4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 178.13577 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]+	179.14305	143.0
[M+Na]+	201.12499	153.9
[M+NH4]+	196.16959	152.6
[M+K]+	217.09893	145.4
[M-H]-	177.12849	144.5
[M+Na-2H]-	199.11044	148.3
[M]+	178.13522	144.9
[M]-	178.13632	144.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.