CID 137603

Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene

Structural Information

Molecular Formula
C11H10
SMILES
C1C2=CC=CC=C1C=CC=C2
InChI
InChI=1S/C11H10/c1-2-6-11-8-4-3-7-10(5-1)9-11/h1-8H,9H2
InChIKey
OORRQYZWSVJKSO-UHFFFAOYSA-N
Compound name
bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

154
Patents

142.07825 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.085526 132.8
[M+Na]+ 165.067468 140.7
[M-H]- 141.070974 139.2
[M+NH4]+ 160.112073 152.1
[M+K]+ 181.041408 141.3
[M+H-H2O]+ 125.075510 132.5
[M+HCOO]- 187.076451 153.2
[M+CH3COO]- 201.092101 145.3
[M+Na-2H]- 163.052916 142.0
[M]+ 142.07770142 129.6
[M]- 142.07879858 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe