CID 5366040

Cyclohexyl crotonate

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C/C=C/C(=O)OC1CCCCC1

InChI

InChI=1S/C10H16O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h2,6,9H,3-5,7-8H2,1H3/b6-2+

InChIKey

ZUMGBVSYIVKLDH-QHHAFSJGSA-N

Compound name

cyclohexyl (E)-but-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 399
Patents: 168.11504 Da
Monoisotopic Mass: 2.7
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]+	169.12232	138.6
[M+Na]+	191.10426	142.9
[M-H]-	167.10776	141.1
[M+NH4]+	186.14886	158.8
[M+K]+	207.07820	141.8
[M+H-H2O]+	151.11230	132.9
[M+HCOO]-	213.11324	158.3
[M+CH3COO]-	227.12889	177.2
[M+Na-2H]-	189.08971	142.0
[M]+	168.11449	135.2
[M]-	168.11559	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe