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]+ 165.127396 144.7
[M+Na]+ 187.109338 154.3
[M-H]- 163.112844 141.1
[M+NH4]+ 182.153943 170.4
[M+K]+ 203.083278 143.8
[M+H-H2O]+ 147.117380 135.8
[M+HCOO]- 209.118321 151.2
[M+CH3COO]- 223.133971 154.3
[M+Na-2H]- 185.094786 155.3
[M]+ 164.11957142 139.4
[M]- 164.12066858 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.