CID 110372

68480-27-3

Structural Information

Molecular Formula

C₁₃H₂₄O₂

SMILES

CCCCCCCCC=CCOC(=O)C

InChI

InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h10-11H,3-9,12H2,1-2H3

InChIKey

WITKTXDMHHYCJB-UHFFFAOYSA-N

Compound name

undec-2-enyl acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 23
Patents: 212.17763 Da
Monoisotopic Mass: 4.7
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]+	213.18491	154.8
[M+Na]+	235.16685	159.7
[M-H]-	211.17035	154.0
[M+NH4]+	230.21145	173.8
[M+K]+	251.14079	157.9
[M+H-H2O]+	195.17489	149.2
[M+HCOO]-	257.17583	176.3
[M+CH3COO]-	271.19148	190.0
[M+Na-2H]-	233.15230	157.0
[M]+	212.17708	159.5
[M]-	212.17818	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe