CID 177798173

2-ethynylspiro[4.4]nonane

Structural Information

Molecular Formula
C11H16
SMILES
C#CC1CCC2(C1)CCCC2
InChI
InChI=1S/C11H16/c1-2-10-5-8-11(9-10)6-3-4-7-11/h1,10H,3-9H2
InChIKey
PRITVSFWSXPGBG-UHFFFAOYSA-N
Compound name
3-ethynylspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.1252 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.132476 138.5
[M+Na]+ 171.114418 148.1
[M-H]- 147.117924 142.1
[M+NH4]+ 166.159023 162.5
[M+K]+ 187.088358 141.3
[M+H-H2O]+ 131.122460 127.5
[M+HCOO]- 193.123401 154.3
[M+CH3COO]- 207.139051 150.3
[M+Na-2H]- 169.099866 140.3
[M]+ 148.12465142 128.2
[M]- 148.12574858 128.2
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.