CID 3017847

3-hexylbut-3-en-2-one

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CCCCCCC(=C)C(=O)C

InChI

InChI=1S/C10H18O/c1-4-5-6-7-8-9(2)10(3)11/h2,4-8H2,1,3H3

InChIKey

GNRZAJLYNQVOHZ-UHFFFAOYSA-N

Compound name

3-methylidenenonan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 154.13577 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]+	155.14305	138.0
[M+Na]+	177.12499	147.7
[M+NH4]+	172.16959	145.4
[M+K]+	193.09893	141.8
[M-H]-	153.12849	137.1
[M+Na-2H]-	175.11044	140.7
[M]+	154.13522	138.9
[M]-	154.13632	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe