CID 11401358

23117-36-4

Structural Information

Molecular Formula

C₁₁H₁₈O₃

SMILES

C=CC(=O)OCC1CCC(CC1)CO

InChI

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

InChIKey

URLYGBGJPQYXBN-UHFFFAOYSA-N

Compound name

[4-(hydroxymethyl)cyclohexyl]methyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5180
Patents: 198.1256 Da
Monoisotopic Mass: 1.7
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	146.3
[M+Na]+	221.11482	155.3
[M+NH4]+	216.15942	153.3
[M+K]+	237.08876	150.0
[M-H]-	197.11832	146.3
[M+Na-2H]-	219.10027	149.0
[M]+	198.12505	147.2
[M]-	198.12615	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe