CID 86114374

94994-33-9

Structural Information

Molecular Formula
C11H16O
SMILES
C#CC12CCC(CC1)(CC2)CO
InChI
InChI=1S/C11H16O/c1-2-10-3-6-11(9-12,7-4-10)8-5-10/h1,12H,3-9H2
InChIKey
PCEKETYGXQLQAY-UHFFFAOYSA-N
Compound name
(4-ethynyl-1-bicyclo[2.2.2]octanyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 144.7
[M+Na]+ 187.10934 154.3
[M-H]- 163.11284 141.1
[M+NH4]+ 182.15394 170.4
[M+K]+ 203.08328 143.8
[M+H-H2O]+ 147.11738 135.8
[M+HCOO]- 209.11832 151.2
[M+CH3COO]- 223.13397 154.3
[M+Na-2H]- 185.09479 155.3
[M]+ 164.11957 139.4
[M]- 164.12067 139.4
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.