CID 20507685

72183-74-5

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

CC(=O)OC1(CCCCC1C2CCCCC2)C

InChI

InChI=1S/C15H26O2/c1-12(16)17-15(2)11-7-6-10-14(15)13-8-4-3-5-9-13/h13-14H,3-11H2,1-2H3

InChIKey

BFMHEASWINLVIZ-UHFFFAOYSA-N

Compound name

(2-cyclohexyl-1-methylcyclohexyl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 238.19328 Da
Monoisotopic Mass: 4.7
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]+	239.200556	159.8
[M+Na]+	261.182498	161.7
[M-H]-	237.186004	164.6
[M+NH4]+	256.227103	178.8
[M+K]+	277.156438	160.2
[M+H-H2O]+	221.190540	153.2
[M+HCOO]-	283.191481	174.8
[M+CH3COO]-	297.207131	191.3
[M+Na-2H]-	259.167946	160.4
[M]+	238.19273142	152.7
[M]-	238.19382858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe