CID 118928

10-undecen-2-one

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC(=O)CCCCCCCC=C

InChI

InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h3H,1,4-10H2,2H3

InChIKey

FJHNSGVMPSITEQ-UHFFFAOYSA-N

Compound name

undec-10-en-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 151
Patents: 168.15141 Da
Monoisotopic Mass: 3.7
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]+	169.15869	142.1
[M+Na]+	191.14063	152.0
[M+NH4]+	186.18523	149.5
[M+K]+	207.11457	145.0
[M-H]-	167.14413	141.4
[M+Na-2H]-	189.12608	145.0
[M]+	168.15086	143.1
[M]-	168.15196	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe