CID 121237820

9-tetradecen-5-olide

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

CCCCC=CCCCC1CCCC(=O)O1

InChI

InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h5-6,13H,2-4,7-12H2,1H3

InChIKey

JAJFALMXCYETOU-UHFFFAOYSA-N

Compound name

6-non-4-enyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 36
Patents: 224.17763 Da
Monoisotopic Mass: 4.2
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	155.8
[M+Na]+	247.166848	159.7
[M-H]-	223.170354	158.5
[M+NH4]+	242.211453	172.8
[M+K]+	263.140788	158.0
[M+H-H2O]+	207.174890	149.5
[M+HCOO]-	269.175831	174.3
[M+CH3COO]-	283.191481	190.3
[M+Na-2H]-	245.152296	158.8
[M]+	224.17708142	155.7
[M]-	224.17817858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe