CID 137699048

2-ethynylbicyclo[2.2.2]octane

Structural Information

Molecular Formula
C10H14
SMILES
C#CC1CC2CCC1CC2
InChI
InChI=1S/C10H14/c1-2-9-7-8-3-5-10(9)6-4-8/h1,8-10H,3-7H2
InChIKey
YQEKDYRLRMUPKC-UHFFFAOYSA-N
Compound name
2-ethynylbicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.10954 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.116816 131.6
[M+Na]+ 157.098758 140.1
[M-H]- 133.102264 128.8
[M+NH4]+ 152.143363 155.6
[M+K]+ 173.072698 131.7
[M+H-H2O]+ 117.106800 122.8
[M+HCOO]- 179.107741 139.6
[M+CH3COO]- 193.123391 141.9
[M+Na-2H]- 155.084206 141.2
[M]+ 134.10899142 125.8
[M]- 134.11008858 125.8
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.