CID 61247

Tert-amyl methyl ether

Structural Information

Molecular Formula

C₆H₁₄O

SMILES

CCC(C)(C)OC

InChI

InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3

InChIKey

HVZJRWJGKQPSFL-UHFFFAOYSA-N

Compound name

2-methoxy-2-methylbutane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 73
References: 13558
Patents: 102.10446 Da
Monoisotopic Mass: 1.6
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]+	103.111736	121.2
[M+Na]+	125.093678	129.0
[M-H]-	101.097184	122.0
[M+NH4]+	120.138283	145.0
[M+K]+	141.067618	129.8
[M+H-H2O]+	85.101720	117.8
[M+HCOO]-	147.102661	143.8
[M+CH3COO]-	161.118311	169.6
[M+Na-2H]-	123.079126	129.1
[M]+	102.10391142	123.6
[M]-	102.10500858	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe