CID 106894

67845-78-7

Structural Information

Molecular Formula

C₁₂H₂₀

SMILES

CC1CC(=CC(C1C(=C)C)C)C

InChI

InChI=1S/C12H20/c1-8(2)12-10(4)6-9(3)7-11(12)5/h6,10-12H,1,7H2,2-5H3

InChIKey

JARFYGJEQCRGOP-UHFFFAOYSA-N

Compound name

1,3,5-trimethyl-4-prop-1-en-2-ylcyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.1565 Da
Monoisotopic Mass: 3.9
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]+	165.16378	139.1
[M+Na]+	187.14572	151.6
[M+NH4]+	182.19032	148.5
[M+K]+	203.11966	144.5
[M-H]-	163.14922	141.9
[M+Na-2H]-	185.13117	144.3
[M]+	164.15595	141.7
[M]-	164.15705	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.