CID 12338

Butyl methyl ether

Structural Information

Molecular Formula

C₅H₁₂O

SMILES

CCCCOC

InChI

InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3

InChIKey

CXBDYQVECUFKRK-UHFFFAOYSA-N

Compound name

1-methoxybutane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 11
References: 56663
Patents: 88.08881 Da
Monoisotopic Mass: 1.7
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	116.8
[M+Na]+	111.07803	124.5
[M-H]-	87.081534	117.4
[M+NH4]+	106.12263	140.9
[M+K]+	127.05197	125.3
[M+H-H2O]+	71.086070	112.9
[M+HCOO]-	133.08701	141.3
[M+CH3COO]-	147.10266	166.3
[M+Na-2H]-	109.06348	124.7
[M]+	88.088261	119.3
[M]-	88.089359	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe