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: 29830
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	116.3
[M+Na]+	111.07803	127.6
[M+NH4]+	106.12263	125.3
[M+K]+	127.05197	121.5
[M-H]-	87.081534	116.6
[M+Na-2H]-	109.06348	121.4
[M]+	88.088261	117.9
[M]-	88.089359	117.9

Literature stripe

literature stripe

Patent stripe

patents stripe