CID 101147

Dtxsid701338819

Structural Information

Molecular Formula

C₁₁H₁₈O₄

SMILES

CC(C(=O)OC1CCCCC1)OC(=O)C

InChI

InChI=1S/C11H18O4/c1-8(14-9(2)12)11(13)15-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3

InChIKey

PRYGJUVRMNIDAI-UHFFFAOYSA-N

Compound name

cyclohexyl 2-acetyloxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 214.12051 Da
Monoisotopic Mass: 2.2
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]+	215.127786	148.8
[M+Na]+	237.109728	152.1
[M-H]-	213.113234	151.2
[M+NH4]+	232.154333	166.9
[M+K]+	253.083668	152.8
[M+H-H2O]+	197.117770	142.8
[M+HCOO]-	259.118711	166.7
[M+CH3COO]-	273.134361	186.1
[M+Na-2H]-	235.095176	149.4
[M]+	214.11996142	147.6
[M]-	214.12105858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe