CID 165466563

4-ethynylspiro[2.4]heptane

Structural Information

Molecular Formula
C9H12
SMILES
C#CC1CCCC12CC2
InChI
InChI=1S/C9H12/c1-2-8-4-3-5-9(8)6-7-9/h1,8H,3-7H2
InChIKey
VPTQSNWTONGFCL-UHFFFAOYSA-N
Compound name
7-ethynylspiro[2.4]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

120.0939 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.101176 124.0
[M+Na]+ 143.083118 140.1
[M-H]- 119.086624 131.0
[M+NH4]+ 138.127723 145.0
[M+K]+ 159.057058 132.5
[M+H-H2O]+ 103.091160 116.1
[M+HCOO]- 165.092101 142.7
[M+CH3COO]- 179.107751 138.5
[M+Na-2H]- 141.068566 131.2
[M]+ 120.09335142 120.3
[M]- 120.09444858 120.3
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.