CID 138987297

1-ethynylspiro[2.2]pentane

Structural Information

Molecular Formula

C₇H₈

SMILES

C#CC1CC12CC2

InChI

InChI=1S/C7H8/c1-2-6-5-7(6)3-4-7/h1,6H,3-5H2

InChIKey

DNFXPPGHJFOOCG-UHFFFAOYSA-N

Compound name

2-ethynylspiro[2.2]pentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 92.0626 Da
Monoisotopic Mass: 1.9
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]+	93.069876	109.6
[M+Na]+	115.05182	122.0
[M+NH4]+	110.09642	117.3
[M+K]+	131.02576	116.7
[M-H]-	91.055324	116.5
[M+Na-2H]-	113.03727	119.5
[M]+	92.062051	114.6
[M]-	92.063149	114.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.