CID 6427130

3,5-undecadien-2-one

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

CCCCC/C=C/C=C/C(=O)C

InChI

InChI=1S/C11H18O/c1-3-4-5-6-7-8-9-10-11(2)12/h7-10H,3-6H2,1-2H3/b8-7+,10-9+

InChIKey

RCFOEQFXUGQOMT-XBLVEGMJSA-N

Compound name

(3E,5E)-undeca-3,5-dien-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 64
Patents: 166.13577 Da
Monoisotopic Mass: 3.5
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]+	167.14305	141.8
[M+Na]+	189.12499	151.7
[M+NH4]+	184.16959	148.9
[M+K]+	205.09893	144.6
[M-H]-	165.12849	140.8
[M+Na-2H]-	187.11044	144.5
[M]+	166.13522	142.6
[M]-	166.13632	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe