CID 19082

Ethyl hydnocarpate

Structural Information

Molecular Formula

C₁₈H₃₂O₂

SMILES

CCOC(=O)CCCCCCCCCCC1CCC=C1

InChI

InChI=1S/C18H32O2/c1-2-20-18(19)16-10-8-6-4-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,2-10,12-13,15-16H2,1H3

InChIKey

IXHZJQBOONNARJ-UHFFFAOYSA-N

Compound name

ethyl 11-cyclopent-2-en-1-ylundecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 280.24023 Da
Monoisotopic Mass: 6.6
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]+	281.24751	176.5
[M+Na]+	303.22945	178.9
[M-H]-	279.23295	177.9
[M+NH4]+	298.27405	194.0
[M+K]+	319.20339	176.0
[M+H-H2O]+	263.23749	169.3
[M+HCOO]-	325.23843	196.8
[M+CH3COO]-	339.25408	202.2
[M+Na-2H]-	301.21490	175.1
[M]+	280.23968	180.3
[M]-	280.24078	180.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe