CID 7710

104-61-0

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CCCCCC1CCC(=O)O1

InChI

InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3

InChIKey

OALYTRUKMRCXNH-UHFFFAOYSA-N

Compound name

5-pentyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 22
References: 12905
Patents: 156.11504 Da
Monoisotopic Mass: 2.2
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]+	157.122316	134.7
[M+Na]+	179.104258	141.2
[M-H]-	155.107764	138.3
[M+NH4]+	174.148863	156.3
[M+K]+	195.078198	141.2
[M+H-H2O]+	139.112300	129.7
[M+HCOO]-	201.113241	156.7
[M+CH3COO]-	215.128891	176.4
[M+Na-2H]-	177.089706	139.0
[M]+	156.11449142	135.5
[M]-	156.11558858	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe