CID 122954

32764-98-0

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC=CCCC1CCCC(=O)O1

InChI

InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h2-3,9H,4-8H2,1H3

InChIKey

NBCMACYORPIYNY-UHFFFAOYSA-N

Compound name

6-pent-3-enyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 551
Patents: 168.11504 Da
Monoisotopic Mass: 2.3
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]+	169.12232	138.2
[M+Na]+	191.10426	149.2
[M+NH4]+	186.14886	146.4
[M+K]+	207.07820	142.8
[M-H]-	167.10776	141.0
[M+Na-2H]-	189.08971	142.2
[M]+	168.11449	140.4
[M]-	168.11559	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe