CID 9964460

18934-00-4

Structural Information

Molecular Formula

C₁₂H₂₂O₃

SMILES

CCC1(COC1)COCC2(COC2)CC

InChI

InChI=1S/C12H22O3/c1-3-11(5-13-6-11)9-15-10-12(4-2)7-14-8-12/h3-10H2,1-2H3

InChIKey

FNYWFRSQRHGKJT-UHFFFAOYSA-N

Compound name

3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9512
Patents: 214.15689 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]+	215.16417	149.8
[M+Na]+	237.14611	150.8
[M+NH4]+	232.19071	152.0
[M+K]+	253.12005	146.8
[M-H]-	213.14961	148.8
[M+Na-2H]-	235.13156	151.4
[M]+	214.15634	147.8
[M]-	214.15744	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe