CID 12228733

339363-23-4

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C#CCOC1CCOCC1

InChI

InChI=1S/C8H12O2/c1-2-5-10-8-3-6-9-7-4-8/h1,8H,3-7H2

InChIKey

LEJNNXAVSLOWIS-UHFFFAOYSA-N

Compound name

4-prop-2-ynoxyoxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 140.08372 Da
Monoisotopic Mass: 0.6
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]+	141.09100	124.5
[M+Na]+	163.07294	132.5
[M-H]-	139.07644	126.6
[M+NH4]+	158.11754	142.4
[M+K]+	179.04688	131.1
[M+H-H2O]+	123.08098	113.2
[M+HCOO]-	185.08192	139.5
[M+CH3COO]-	199.09757	180.9
[M+Na-2H]-	161.05839	131.0
[M]+	140.08317	117.7
[M]-	140.08427	117.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe