CID 111727

Allyl cyclohexyloxyacetate

Structural Information

Molecular Formula

C₁₁H₁₈O₃

SMILES

C=CCOC(=O)COC1CCCCC1

InChI

InChI=1S/C11H18O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2,10H,1,3-9H2

InChIKey

MBUYSYKXSMTIPP-UHFFFAOYSA-N

Compound name

prop-2-enyl 2-cyclohexyloxyacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1575
Patents: 198.1256 Da
Monoisotopic Mass: 2.5
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]+	199.132876	145.9
[M+Na]+	221.114818	149.6
[M-H]-	197.118324	148.1
[M+NH4]+	216.159423	164.7
[M+K]+	237.088758	148.7
[M+H-H2O]+	181.122860	139.7
[M+HCOO]-	243.123801	165.5
[M+CH3COO]-	257.139451	183.0
[M+Na-2H]-	219.100266	148.8
[M]+	198.12505142	144.5
[M]-	198.12614858	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe