CID 12355

Butyl ethyl ether

Structural Information

Molecular Formula

C₆H₁₄O

SMILES

CCCCOCC

InChI

InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3

InChIKey

PZHIWRCQKBBTOW-UHFFFAOYSA-N

Compound name

1-ethoxybutane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 42448
Patents: 102.10446 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]+	103.11174	121.5
[M+Na]+	125.09368	128.8
[M-H]-	101.09718	121.9
[M+NH4]+	120.13828	145.1
[M+K]+	141.06762	129.3
[M+H-H2O]+	85.101720	117.3
[M+HCOO]-	147.10266	145.6
[M+CH3COO]-	161.11831	169.4
[M+Na-2H]-	123.07913	128.8
[M]+	102.10391	124.4
[M]-	102.10501	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe