CID 23352

3,3-dimethyloxetane

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

CC1(COC1)C

InChI

InChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3

InChIKey

RVGLUKRYMXEQAH-UHFFFAOYSA-N

Compound name

3,3-dimethyloxetane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 5003
Patents: 86.073166 Da
Monoisotopic Mass: 1.0
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]+	87.080442	110.4
[M+Na]+	109.06238	117.5
[M-H]-	85.065890	115.3
[M+NH4]+	104.10699	128.7
[M+K]+	125.03632	122.0
[M+H-H2O]+	69.070426	102.7
[M+HCOO]-	131.07137	132.4
[M+CH3COO]-	145.08702	167.5
[M+Na-2H]-	107.04783	120.5
[M]+	86.072617	119.5
[M]-	86.073715	119.5

Literature stripe

literature stripe

Patent stripe

patents stripe