CID 520717

11-dodecenyl acetate

Structural Information

Molecular Formula

C₁₄H₂₆O₂

SMILES

CC(=O)OCCCCCCCCCCC=C

InChI

InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3H,1,4-13H2,2H3

InChIKey

ANBOMSJGDBBKMR-UHFFFAOYSA-N

Compound name

dodec-11-enyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 399
Patents: 226.19328 Da
Monoisotopic Mass: 5.1
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]+	227.20056	159.2
[M+Na]+	249.18250	163.6
[M-H]-	225.18600	158.2
[M+NH4]+	244.22710	177.6
[M+K]+	265.15644	161.4
[M+H-H2O]+	209.19054	153.3
[M+HCOO]-	271.19148	180.3
[M+CH3COO]-	285.20713	193.7
[M+Na-2H]-	247.16795	160.8
[M]+	226.19273	164.4
[M]-	226.19383	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe