CID 98296

2h-pyran, tetrahydro-2-isobutoxy-

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: 44
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]+	159.13796	135.8
[M+Na]+	181.11990	146.2
[M+NH4]+	176.16450	144.6
[M+K]+	197.09384	140.8
[M-H]-	157.12340	138.9
[M+Na-2H]-	179.10535	140.2
[M]+	158.13013	138.0
[M]-	158.13123	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe