CID 110760

Menthyl hexanoate

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

CCCCCC(=O)OC1CC(CCC1C(C)C)C

InChI

InChI=1S/C16H30O2/c1-5-6-7-8-16(17)18-15-11-13(4)9-10-14(15)12(2)3/h12-15H,5-11H2,1-4H3

InChIKey

VDXDHXCHHMIDPX-UHFFFAOYSA-N

Compound name

(5-methyl-2-propan-2-ylcyclohexyl) hexanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 66
Patents: 254.22458 Da
Monoisotopic Mass: 5.5
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]+	255.23186	165.0
[M+Na]+	277.21380	174.0
[M+NH4]+	272.25840	172.3
[M+K]+	293.18774	167.8
[M-H]-	253.21730	166.1
[M+Na-2H]-	275.19925	167.1
[M]+	254.22403	166.4
[M]-	254.22513	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe