CID 12346

Diisobutyl ether

Structural Information

Molecular Formula

C₈H₁₈O

SMILES

CC(C)COCC(C)C

InChI

InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3

InChIKey

SZNYYWIUQFZLLT-UHFFFAOYSA-N

Compound name

2-methyl-1-(2-methylpropoxy)propane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 28325
Patents: 130.13577 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]+	131.143046	131.6
[M+Na]+	153.124988	137.6
[M-H]-	129.128494	131.8
[M+NH4]+	148.169593	153.9
[M+K]+	169.098928	138.4
[M+H-H2O]+	113.133030	127.1
[M+HCOO]-	175.133971	153.1
[M+CH3COO]-	189.149621	177.0
[M+Na-2H]-	151.110436	135.2
[M]+	130.13522142	133.9
[M]-	130.13631858	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe