CID 582157

Undecyl cyclohexanecarboxylate

Structural Information

Molecular Formula

C₁₈H₃₄O₂

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1

InChI

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-13-16-20-18(19)17-14-11-10-12-15-17/h17H,2-16H2,1H3

InChIKey

BTFNOAHOLGBKRX-UHFFFAOYSA-N

Compound name

undecyl cyclohexanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.2559 Da
Monoisotopic Mass: 7.2
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]+	283.263176	176.4
[M+Na]+	305.245118	176.9
[M-H]-	281.248624	177.2
[M+NH4]+	300.289723	191.9
[M+K]+	321.219058	174.3
[M+H-H2O]+	265.253160	169.0
[M+HCOO]-	327.254101	193.2
[M+CH3COO]-	341.269751	202.9
[M+Na-2H]-	303.230566	175.4
[M]+	282.25535142	176.7
[M]-	282.25644858	176.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.