CID 111727

68901-15-5

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

2
Annotation Hits: 1
References: 1230
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]+	199.13288	146.5
[M+Na]+	221.11482	155.6
[M+NH4]+	216.15942	153.8
[M+K]+	237.08876	149.8
[M-H]-	197.11832	147.0
[M+Na-2H]-	219.10027	150.0
[M]+	198.12505	147.6
[M]-	198.12615	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe