CID 36292

2-(tert-butoxy)butane

Structural Information

Molecular Formula

C₈H₁₈O

SMILES

CCC(C)OC(C)(C)C

InChI

InChI=1S/C8H18O/c1-6-7(2)9-8(3,4)5/h7H,6H2,1-5H3

InChIKey

WMZNUJPPIPVIOD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1379
Patents: 130.13577 Da
Monoisotopic Mass: 2.4
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	130.6
[M+Na]+	153.124988	137.5
[M-H]-	129.128494	131.2
[M+NH4]+	148.169593	153.3
[M+K]+	169.098928	138.2
[M+H-H2O]+	113.133030	126.9
[M+HCOO]-	175.133971	151.6
[M+CH3COO]-	189.149621	175.8
[M+Na-2H]-	151.110436	136.2
[M]+	130.13522142	133.0
[M]-	130.13631858	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe