CID 20669195

207505-73-5

Structural Information

Molecular Formula

C₁₇H₂₆O₂

SMILES

CC1=CCC(CC1)C(C)(C)OC(=O)C2CCC=CC2

InChI

InChI=1S/C17H26O2/c1-13-9-11-15(12-10-13)17(2,3)19-16(18)14-7-5-4-6-8-14/h4-5,9,14-15H,6-8,10-12H2,1-3H3

InChIKey

BJTYRNANPWPOGC-UHFFFAOYSA-N

Compound name

2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 262.19327 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]+	263.200546	164.2
[M+Na]+	285.182488	166.8
[M-H]-	261.185994	169.3
[M+NH4]+	280.227093	180.4
[M+K]+	301.156428	164.5
[M+H-H2O]+	245.190530	157.2
[M+HCOO]-	307.191471	179.9
[M+CH3COO]-	321.207121	197.4
[M+Na-2H]-	283.167936	165.6
[M]+	262.19272142	160.0
[M]-	262.19381858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe