CID 186233

81603-63-6

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCC(CC)OC1CCCCO1

InChI

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

InChIKey

HNMMLAGHGCLBDE-UHFFFAOYSA-N

Compound name

2-pentan-3-yloxyoxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 172.14633 Da
Monoisotopic Mass: 2.8
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	141.2
[M+Na]+	195.13555	144.8
[M-H]-	171.13905	144.2
[M+NH4]+	190.18015	159.9
[M+K]+	211.10949	145.8
[M+H-H2O]+	155.14359	135.3
[M+HCOO]-	217.14453	159.6
[M+CH3COO]-	231.16018	180.3
[M+Na-2H]-	193.12100	145.6
[M]+	172.14578	140.0
[M]-	172.14688	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe