CID 13919499

Geijeron

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: 0
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	138.7
[M+Na]+	201.12499	145.3
[M-H]-	177.12849	142.1
[M+NH4]+	196.16959	161.1
[M+K]+	217.09893	142.9
[M+H-H2O]+	161.13303	134.6
[M+HCOO]-	223.13397	157.8
[M+CH3COO]-	237.14962	183.6
[M+Na-2H]-	199.11044	141.3
[M]+	178.13522	135.3
[M]-	178.13632	135.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.