CID 77549

3944-35-2

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CC(C)OCCOC(C)C

InChI

InChI=1S/C8H18O2/c1-7(2)9-5-6-10-8(3)4/h7-8H,5-6H2,1-4H3

InChIKey

MGZCLRWCEUBEGO-UHFFFAOYSA-N

Compound name

2-(2-propan-2-yloxyethoxy)propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1301
Patents: 146.13068 Da
Monoisotopic Mass: 1.5
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]+	147.137956	134.8
[M+Na]+	169.119898	140.8
[M-H]-	145.123404	134.9
[M+NH4]+	164.164503	156.4
[M+K]+	185.093838	142.0
[M+H-H2O]+	129.127940	130.1
[M+HCOO]-	191.128881	156.5
[M+CH3COO]-	205.144531	178.9
[M+Na-2H]-	167.105346	138.3
[M]+	146.13013142	138.5
[M]-	146.13122858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe