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]+	169.122316	137.9
[M+Na]+	191.104258	144.0
[M-H]-	167.107764	141.5
[M+NH4]+	186.148863	160.6
[M+K]+	207.078198	143.8
[M+H-H2O]+	151.112300	133.6
[M+HCOO]-	213.113241	158.8
[M+CH3COO]-	227.128891	177.8
[M+Na-2H]-	189.089706	142.4
[M]+	168.11449142	137.7
[M]-	168.11558858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.