CID 218463

3,3-bis(propoxymethyl)oxetane

Structural Information

Molecular Formula

C₁₁H₂₂O₃

SMILES

CCCOCC1(COC1)COCCC

InChI

InChI=1S/C11H22O3/c1-3-5-12-7-11(9-14-10-11)8-13-6-4-2/h3-10H2,1-2H3

InChIKey

PNOMACDCNXDMRZ-UHFFFAOYSA-N

Compound name

3,3-bis(propoxymethyl)oxetane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.15689 Da
Monoisotopic Mass: 1.5
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]+	203.16417	146.2
[M+Na]+	225.14611	151.5
[M+NH4]+	220.19071	151.0
[M+K]+	241.12005	146.1
[M-H]-	201.14961	145.2
[M+Na-2H]-	223.13156	148.6
[M]+	202.15634	145.5
[M]-	202.15744	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.