CID 12736619

80275-33-8

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1(CCCO1)C(=O)CCC=C

InChI

InChI=1S/C10H16O2/c1-3-4-6-9(11)10(2)7-5-8-12-10/h3H,1,4-8H2,2H3

InChIKey

PZKUOKUPNXYDLO-UHFFFAOYSA-N

Compound name

1-(2-methyloxolan-2-yl)pent-4-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.11504 Da
Monoisotopic Mass: 1.6
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	137.9
[M+Na]+	191.10426	144.0
[M-H]-	167.10776	141.5
[M+NH4]+	186.14886	160.6
[M+K]+	207.07820	143.8
[M+H-H2O]+	151.11230	133.6
[M+HCOO]-	213.11324	158.8
[M+CH3COO]-	227.12889	177.8
[M+Na-2H]-	189.08971	142.4
[M]+	168.11449	137.7
[M]-	168.11559	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.