CID 8163

2-undecanone

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CCCCCCCCCC(=O)C

InChI

InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3

InChIKey

KYWIYKKSMDLRDC-UHFFFAOYSA-N

Compound name

undecan-2-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 106
References: 12524
Patents: 170.16707 Da
Monoisotopic Mass: 4.1
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]+	171.17435	142.8
[M+Na]+	193.15629	152.7
[M+NH4]+	188.20089	150.5
[M+K]+	209.13023	145.7
[M-H]-	169.15979	142.4
[M+Na-2H]-	191.14174	145.8
[M]+	170.16652	143.9
[M]-	170.16762	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe