CID 98296

32767-68-3

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

CC(C)COC1CCCCO1

InChI

InChI=1S/C9H18O2/c1-8(2)7-11-9-5-3-4-6-10-9/h8-9H,3-7H2,1-2H3

InChIKey

ZDFZISUAJPDZKM-UHFFFAOYSA-N

Compound name

2-(2-methylpropoxy)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 158.13068 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]+	159.137956	136.5
[M+Na]+	181.119898	140.5
[M-H]-	157.123404	139.6
[M+NH4]+	176.164503	155.8
[M+K]+	197.093838	141.8
[M+H-H2O]+	141.127940	130.8
[M+HCOO]-	203.128881	155.2
[M+CH3COO]-	217.144531	177.3
[M+Na-2H]-	179.105346	141.4
[M]+	158.13013142	134.9
[M]-	158.13122858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe