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

6
Annotation Hits: 0
References: 203
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]+	225.184906	156.8
[M+Na]+	247.166848	159.2
[M-H]-	223.170354	158.4
[M+NH4]+	242.211453	174.5
[M+K]+	263.140788	157.1
[M+H-H2O]+	207.174890	150.2
[M+HCOO]-	269.175831	175.1
[M+CH3COO]-	283.191481	190.0
[M+Na-2H]-	245.152296	158.0
[M]+	224.17708142	154.9
[M]-	224.17817858	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe