CID 108303

54982-76-2

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CCOC1(CCC(=CC1)C)C(C)C

InChI

InChI=1S/C12H22O/c1-5-13-12(10(2)3)8-6-11(4)7-9-12/h6,10H,5,7-9H2,1-4H3

InChIKey

RRBKCTRIOFQEIN-UHFFFAOYSA-N

Compound name

4-ethoxy-1-methyl-4-propan-2-ylcyclohexene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4
Patents: 182.16707 Da
Monoisotopic Mass: 3.1
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]+	183.17435	143.3
[M+Na]+	205.15629	149.0
[M-H]-	181.15979	146.5
[M+NH4]+	200.20089	165.5
[M+K]+	221.13023	148.1
[M+H-H2O]+	165.16433	138.4
[M+HCOO]-	227.16527	163.2
[M+CH3COO]-	241.18092	184.7
[M+Na-2H]-	203.14174	147.2
[M]+	182.16652	142.9
[M]-	182.16762	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe