CID 137699054

3-(prop-2-yn-1-yloxy)oxetane

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

C#CCOC1COC1

InChI

InChI=1S/C6H8O2/c1-2-3-8-6-4-7-5-6/h1,6H,3-5H2

InChIKey

HFFLONOQLWXIGN-UHFFFAOYSA-N

Compound name

3-prop-2-ynoxyoxetane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 112.05243 Da
Monoisotopic Mass: -0.1
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]+	113.059706	107.5
[M+Na]+	135.041648	115.6
[M-H]-	111.045154	110.6
[M+NH4]+	130.086253	121.0
[M+K]+	151.015588	119.7
[M+H-H2O]+	95.049690	92.9
[M+HCOO]-	157.050631	124.4
[M+CH3COO]-	171.066281	180.4
[M+Na-2H]-	133.027096	115.9
[M]+	112.05188142	111.6
[M]-	112.05297858	111.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe