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]+ 135.11682 131.6
[M+Na]+ 157.09876 140.1
[M-H]- 133.10226 128.8
[M+NH4]+ 152.14336 155.6
[M+K]+ 173.07270 131.7
[M+H-H2O]+ 117.10680 122.8
[M+HCOO]- 179.10774 139.6
[M+CH3COO]- 193.12339 141.9
[M+Na-2H]- 155.08421 141.2
[M]+ 134.10899 125.8
[M]- 134.11009 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.