CID 111783

68922-13-4

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

CCCCCOC1=C(CCC1=O)C

InChI

InChI=1S/C11H18O2/c1-3-4-5-8-13-11-9(2)6-7-10(11)12/h3-8H2,1-2H3

InChIKey

YZNBCHMWGPMYIS-UHFFFAOYSA-N

Compound name

3-methyl-2-pentoxycyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 12
Patents: 182.13068 Da
Monoisotopic Mass: 2.4
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]+	183.13796	142.0
[M+Na]+	205.11990	152.5
[M+NH4]+	200.16450	150.2
[M+K]+	221.09384	147.7
[M-H]-	181.12340	143.1
[M+Na-2H]-	203.10535	146.0
[M]+	182.13013	143.6
[M]-	182.13123	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe