CID 12340

Ethyl propyl ether

Structural Information

Molecular Formula

C₅H₁₂O

SMILES

CCCOCC

InChI

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

InChIKey

NVJUHMXYKCUMQA-UHFFFAOYSA-N

Compound name

1-ethoxypropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 43322
Patents: 88.08881 Da
Monoisotopic Mass: 1.3
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]+	111.078028	124.5
[M-H]-	87.081534	117.4
[M+NH4]+	106.122633	140.9
[M+K]+	127.051968	125.3
[M+H-H2O]+	71.086070	112.9
[M+HCOO]-	133.087011	141.3
[M+CH3COO]-	147.102661	166.3
[M+Na-2H]-	109.063476	124.7
[M]+	88.08826142	119.3
[M]-	88.08935858	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe