CID 106746

67634-22-4

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC1CCC(C(C1)C)COC(=O)C

InChI

InChI=1S/C11H20O2/c1-8-4-5-11(9(2)6-8)7-13-10(3)12/h8-9,11H,4-7H2,1-3H3

InChIKey

KLSKYUJILONZTN-UHFFFAOYSA-N

Compound name

(2,4-dimethylcyclohexyl)methyl acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 153
Patents: 184.14633 Da
Monoisotopic Mass: 3.2
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]+	185.153606	142.6
[M+Na]+	207.135548	148.1
[M-H]-	183.139054	145.7
[M+NH4]+	202.180153	162.9
[M+K]+	223.109488	147.4
[M+H-H2O]+	167.143590	137.3
[M+HCOO]-	229.144531	161.8
[M+CH3COO]-	243.160181	184.1
[M+Na-2H]-	205.120996	144.3
[M]+	184.14578142	141.2
[M]-	184.14687858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe