CID 61407

7493-68-7

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

C=CCOC(=O)CCCCC1CCCCC1

InChI

InChI=1S/C14H24O2/c1-2-12-16-14(15)11-7-6-10-13-8-4-3-5-9-13/h2,13H,1,3-12H2

InChIKey

NDXGAVFJHHVIQN-UHFFFAOYSA-N

Compound name

prop-2-enyl 5-cyclohexylpentanoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 215
Patents: 224.17763 Da
Monoisotopic Mass: 4.9
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]+	225.18491	156.8
[M+Na]+	247.16685	159.2
[M-H]-	223.17035	158.4
[M+NH4]+	242.21145	174.5
[M+K]+	263.14079	157.1
[M+H-H2O]+	207.17489	150.2
[M+HCOO]-	269.17583	175.1
[M+CH3COO]-	283.19148	190.0
[M+Na-2H]-	245.15230	158.0
[M]+	224.17708	154.9
[M]-	224.17818	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe