CID 17465

2611-00-9

Structural Information

Molecular Formula

C₁₄H₂₀O₂

SMILES

C1CC(CC=C1)COC(=O)C2CCC=CC2

InChI

InChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2

InChIKey

FJPFRSQDAFMEKD-UHFFFAOYSA-N

Compound name

cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 198
Patents: 220.14633 Da
Monoisotopic Mass: 3.4
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]+	221.15361	152.1
[M+Na]+	243.13555	154.5
[M-H]-	219.13905	157.0
[M+NH4]+	238.18015	169.5
[M+K]+	259.10949	152.4
[M+H-H2O]+	203.14359	144.7
[M+HCOO]-	265.14453	170.3
[M+CH3COO]-	279.16018	186.9
[M+Na-2H]-	241.12100	154.8
[M]+	220.14578	146.8
[M]-	220.14688	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe