CID 108451

2-cyclohexyl-2-propyl acetate

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC(=O)OC(C)(C)C1CCCCC1

InChI

InChI=1S/C11H20O2/c1-9(12)13-11(2,3)10-7-5-4-6-8-10/h10H,4-8H2,1-3H3

InChIKey

ANCMOAJSZHXJJD-UHFFFAOYSA-N

Compound name

2-cyclohexylpropan-2-yl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 248
Patents: 184.14633 Da
Monoisotopic Mass: 3.1
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	143.4
[M+Na]+	207.135548	147.5
[M-H]-	183.139054	146.0
[M+NH4]+	202.180153	163.2
[M+K]+	223.109488	147.1
[M+H-H2O]+	167.143590	138.2
[M+HCOO]-	229.144531	161.1
[M+CH3COO]-	243.160181	182.1
[M+Na-2H]-	205.120996	147.2
[M]+	184.14578142	140.9
[M]-	184.14687858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe