CID 12250

Isobutyl methyl ether

Structural Information

Molecular Formula

C₅H₁₂O

SMILES

CC(C)COC

InChI

InChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3

InChIKey

ZYVYEJXMYBUCMN-UHFFFAOYSA-N

Compound name

1-methoxy-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 21059
Patents: 88.08881 Da
Monoisotopic Mass: 1.4
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]+	89.096086	117.2
[M+Na]+	111.078028	124.7
[M-H]-	87.081534	117.9
[M+NH4]+	106.122633	141.3
[M+K]+	127.051968	125.8
[M+H-H2O]+	71.086070	113.3
[M+HCOO]-	133.087011	140.6
[M+CH3COO]-	147.102661	167.1
[M+Na-2H]-	109.063476	123.8
[M]+	88.08826142	119.0
[M]-	88.08935858	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe