CID 61035

10-undecen-1-yl acetate

Structural Information

Molecular Formula

C₁₃H₂₄O₂

SMILES

CC(=O)OCCCCCCCCCC=C

InChI

InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3H,1,4-12H2,2H3

InChIKey

VCVAXEYHJAFRGM-UHFFFAOYSA-N

Compound name

undec-10-enyl acetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 388
Patents: 212.17763 Da
Monoisotopic Mass: 4.5
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	154.0
[M+Na]+	235.16685	163.0
[M+NH4]+	230.21145	160.5
[M+K]+	251.14079	156.1
[M-H]-	211.17035	152.7
[M+Na-2H]-	233.15230	155.9
[M]+	212.17708	154.6
[M]-	212.17818	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe