CID 113343

63574-03-8

Structural Information

Molecular Formula

C₁₃H₂₄O₂

SMILES

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

InChI

InChI=1S/C13H24O2/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3

InChIKey

LLHBKSLMOGXHEF-UHFFFAOYSA-N

Compound name

2-cyclohexylpropan-2-yl 2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 229
Patents: 212.17763 Da
Monoisotopic Mass: 4.1
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]+	213.184906	152.2
[M+Na]+	235.166848	155.2
[M-H]-	211.170354	154.5
[M+NH4]+	230.211453	170.7
[M+K]+	251.140788	154.8
[M+H-H2O]+	195.174890	146.8
[M+HCOO]-	257.175831	168.2
[M+CH3COO]-	271.191481	189.1
[M+Na-2H]-	233.152296	153.7
[M]+	212.17708142	149.7
[M]-	212.17817858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe