CID 137364

87877-77-8

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CCCCCC(C1CCC(=O)O1)O

InChI

InChI=1S/C10H18O3/c1-2-3-4-5-8(11)9-6-7-10(12)13-9/h8-9,11H,2-7H2,1H3

InChIKey

WPWMAIDTZPLUGB-UHFFFAOYSA-N

Compound name

5-(1-hydroxyhexyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 16
Patents: 186.1256 Da
Monoisotopic Mass: 2.0
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]+	187.132876	143.7
[M+Na]+	209.114818	149.0
[M-H]-	185.118324	145.8
[M+NH4]+	204.159423	163.2
[M+K]+	225.088758	148.7
[M+H-H2O]+	169.122860	138.6
[M+HCOO]-	231.123801	163.1
[M+CH3COO]-	245.139451	179.7
[M+Na-2H]-	207.100266	145.7
[M]+	186.12505142	143.8
[M]-	186.12614858	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe