CID 109580

68134-24-7

Structural Information

Molecular Formula

C₁₀H₂₂O₂

SMILES

CCCCOCCOC(C)(C)C

InChI

InChI=1S/C10H22O2/c1-5-6-7-11-8-9-12-10(2,3)4/h5-9H2,1-4H3

InChIKey

RLKKZSSOQABBHI-UHFFFAOYSA-N

Compound name

1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 113
Patents: 174.16199 Da
Monoisotopic Mass: 2.2
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]+	175.169266	143.5
[M+Na]+	197.151208	149.7
[M-H]-	173.154714	143.5
[M+NH4]+	192.195813	164.4
[M+K]+	213.125148	149.8
[M+H-H2O]+	157.159250	139.0
[M+HCOO]-	219.160191	165.0
[M+CH3COO]-	233.175841	183.0
[M+Na-2H]-	195.136656	149.2
[M]+	174.16144142	148.8
[M]-	174.16253858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe