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]+ 151.11174 139.1
[M+Na]+ 173.09368 150.7
[M-H]- 149.09718 140.1
[M+NH4]+ 168.13828 165.7
[M+K]+ 189.06762 142.5
[M+H-H2O]+ 133.10172 130.0
[M+HCOO]- 195.10266 153.9
[M+CH3COO]- 209.11831 151.1
[M+Na-2H]- 171.07913 143.9
[M]+ 150.10391 132.2
[M]- 150.10501 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.