CID 5363539

6e-tetradecenyl acetate

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

CCCCCCC/C=C/CCCCCOC(=O)C

InChI

InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h9-10H,3-8,11-15H2,1-2H3/b10-9+

InChIKey

SBLGLBNKXWHUFO-MDZDMXLPSA-N

Compound name

[(E)-tetradec-6-enyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 254.22458 Da
Monoisotopic Mass: 5.9
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]+	255.23186	168.6
[M+Na]+	277.21380	172.2
[M-H]-	253.21730	167.2
[M+NH4]+	272.25840	185.9
[M+K]+	293.18774	169.5
[M+H-H2O]+	237.22184	162.4
[M+HCOO]-	299.22278	189.0
[M+CH3COO]-	313.23843	199.0
[M+Na-2H]-	275.19925	169.1
[M]+	254.22403	174.4
[M]-	254.22513	174.4

Literature stripe

literature stripe

Patent stripe

patents stripe