CID 109416

68480-13-7

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCCCC(C1CCCO1)O

InChI

InChI=1S/C10H20O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h9-11H,2-8H2,1H3

InChIKey

SZXJOXHALDXHPQ-UHFFFAOYSA-N

Compound name

1-(oxolan-2-yl)hexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 172.14633 Da
Monoisotopic Mass: 2.3
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]+	173.15361	142.9
[M+Na]+	195.13555	147.0
[M-H]-	171.13905	144.6
[M+NH4]+	190.18015	162.8
[M+K]+	211.10949	146.9
[M+H-H2O]+	155.14359	137.6
[M+HCOO]-	217.14453	161.9
[M+CH3COO]-	231.16018	177.3
[M+Na-2H]-	193.12100	145.5
[M]+	172.14578	141.9
[M]-	172.14688	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe