CID 22541

Di-tert-butyl ether

Structural Information

Molecular Formula

C₈H₁₈O

SMILES

CC(C)(C)OC(C)(C)C

InChI

InChI=1S/C8H18O/c1-7(2,3)9-8(4,5)6/h1-6H3

InChIKey

AQEFLFZSWDEAIP-UHFFFAOYSA-N

Compound name

2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 57
References: 40229
Patents: 130.13577 Da
Monoisotopic Mass: 2.0
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]+	131.14305	130.9
[M+Na]+	153.12499	141.1
[M+NH4]+	148.16959	139.0
[M+K]+	169.09893	136.6
[M-H]-	129.12849	129.8
[M+Na-2H]-	151.11044	134.9
[M]+	130.13522	132.1
[M]-	130.13632	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe