CID 122199078

{4-ethynylbicyclo[2.2.1]heptan-1-yl}methanol

Structural Information

Molecular Formula
C10H14O
SMILES
C#CC12CCC(C1)(CC2)CO
InChI
InChI=1S/C10H14O/c1-2-9-3-5-10(7-9,8-11)6-4-9/h1,11H,3-8H2
InChIKey
BEUIDGOQVWDAID-UHFFFAOYSA-N
Compound name
(4-ethynyl-1-bicyclo[2.2.1]heptanyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 139.1
[M+Na]+ 173.093678 150.7
[M-H]- 149.097184 140.1
[M+NH4]+ 168.138283 165.7
[M+K]+ 189.067618 142.5
[M+H-H2O]+ 133.101720 130.0
[M+HCOO]- 195.102661 153.9
[M+CH3COO]- 209.118311 151.1
[M+Na-2H]- 171.079126 143.9
[M]+ 150.10391142 132.2
[M]- 150.10500858 132.2
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.