CID 98609

Tetrahydro-2-(2-propynyloxy)-2h-pyran

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C#CCOC1CCCCO1

InChI

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

InChIKey

HQAXHIGPGBPPFU-UHFFFAOYSA-N

Compound name

2-prop-2-ynoxyoxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1705
Patents: 140.08372 Da
Monoisotopic Mass: 1.1
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]+	141.090996	124.5
[M+Na]+	163.072938	132.5
[M-H]-	139.076444	126.6
[M+NH4]+	158.117543	142.4
[M+K]+	179.046878	131.1
[M+H-H2O]+	123.080980	113.2
[M+HCOO]-	185.081921	139.5
[M+CH3COO]-	199.097571	180.9
[M+Na-2H]-	161.058386	131.0
[M]+	140.08317142	117.7
[M]-	140.08426858	117.7

Literature stripe

literature stripe

Patent stripe

patents stripe