CID 110867

Methyl 1-methylcyclohex-3-ene-1-carboxylate

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CC1(CCC=CC1)C(=O)OC

InChI

InChI=1S/C9H14O2/c1-9(8(10)11-2)6-4-3-5-7-9/h3-4H,5-7H2,1-2H3

InChIKey

GLCJULYDLTXOEN-UHFFFAOYSA-N

Compound name

methyl 1-methylcyclohex-3-ene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 97
Patents: 154.09938 Da
Monoisotopic Mass: 2.0
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]+	155.10666	134.0
[M+Na]+	177.08860	145.1
[M+NH4]+	172.13320	144.1
[M+K]+	193.06254	137.5
[M-H]-	153.09210	135.7
[M+Na-2H]-	175.07405	141.2
[M]+	154.09883	136.1
[M]-	154.09993	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe