CID 147818258

1-ethynyl-5-oxaspiro[2.4]heptane

Structural Information

Molecular Formula

C₈H₁₀O

SMILES

C#CC1CC12CCOC2

InChI

InChI=1S/C8H10O/c1-2-7-5-8(7)3-4-9-6-8/h1,7H,3-6H2

InChIKey

HOSRSFLEJABMNZ-UHFFFAOYSA-N

Compound name

2-ethynyl-5-oxaspiro[2.4]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 122.073166 Da
Monoisotopic Mass: 0.8
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]+	123.08044	120.1
[M+Na]+	145.06238	136.7
[M-H]-	121.06589	127.6
[M+NH4]+	140.10699	139.9
[M+K]+	161.03632	130.8
[M+H-H2O]+	105.07043	112.2
[M+HCOO]-	167.07137	138.4
[M+CH3COO]-	181.08702	135.1
[M+Na-2H]-	143.04783	128.9
[M]+	122.07262	118.1
[M]-	122.07371	118.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.