CID 129762183

49768-04-9

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CCOC(=O)C1(CCCC=C1)C

InChI

InChI=1S/C10H16O2/c1-3-12-9(11)10(2)7-5-4-6-8-10/h5,7H,3-4,6,8H2,1-2H3

InChIKey

BNDNXSZXHPDKDY-UHFFFAOYSA-N

Compound name

ethyl 1-methylcyclohex-2-ene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.11504 Da
Monoisotopic Mass: 2.6
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]+	169.12232	137.4
[M+Na]+	191.10426	143.3
[M-H]-	167.10776	140.6
[M+NH4]+	186.14886	159.8
[M+K]+	207.07820	142.9
[M+H-H2O]+	151.11230	132.5
[M+HCOO]-	213.11324	158.5
[M+CH3COO]-	227.12889	178.0
[M+Na-2H]-	189.08971	143.0
[M]+	168.11449	136.6
[M]-	168.11559	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe