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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.069876 125.1
[M+Na]+ 115.05182 143.5
[M-H]- 91.055324 134.2
[M+NH4]+ 110.09642 140.6
[M+K]+ 131.02576 137.1
[M+H-H2O]+ 75.059860 120.5
[M+HCOO]- 137.06080 143.9
[M+CH3COO]- 151.07645 189.1
[M+Na-2H]- 113.03727 134.2
[M]+ 92.062051 126.9
[M]- 92.063149 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.