CID 2775622

{bicyclo[2.2.2]oct-5-en-2-yl}methanol

Structural Information

Molecular Formula
C9H14O
SMILES
C1CC2C=CC1CC2CO
InChI
InChI=1S/C9H14O/c10-6-9-5-7-1-3-8(9)4-2-7/h1,3,7-10H,2,4-6H2
InChIKey
KOCJWKFHBTXNJS-UHFFFAOYSA-N
Compound name
2-bicyclo[2.2.2]oct-5-enylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

138.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 128.5
[M+Na]+ 161.093678 133.3
[M-H]- 137.097184 124.5
[M+NH4]+ 156.138283 154.2
[M+K]+ 177.067618 131.0
[M+H-H2O]+ 121.101720 124.9
[M+HCOO]- 183.102661 140.9
[M+CH3COO]- 197.118311 140.0
[M+Na-2H]- 159.079126 140.5
[M]+ 138.10391142 128.8
[M]- 138.10500858 128.8
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

patents stripe