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: 2
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	125.1
[M+Na]+	115.051818	143.5
[M-H]-	91.055324	134.2
[M+NH4]+	110.096423	140.6
[M+K]+	131.025758	137.1
[M+H-H2O]+	75.059860	120.5
[M+HCOO]-	137.060801	143.9
[M+CH3COO]-	151.076451	189.1
[M+Na-2H]-	113.037266	134.2
[M]+	92.06205142	126.9
[M]-	92.06314858	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe