CID 12256

Ethyl isopropyl ether

Structural Information

Molecular Formula

C₅H₁₂O

SMILES

CCOC(C)C

InChI

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

InChIKey

XSJVWZAETSBXKU-UHFFFAOYSA-N

Compound name

2-ethoxypropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 11737
Patents: 88.08881 Da
Monoisotopic Mass: 0.9
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	116.7
[M+Na]+	111.07803	127.8
[M+NH4]+	106.12263	125.7
[M+K]+	127.05197	122.4
[M-H]-	87.081534	116.8
[M+Na-2H]-	109.06348	121.5
[M]+	88.088261	118.2
[M]-	88.089359	118.2

Literature stripe

literature stripe

Patent stripe

patents stripe