CID 97391

1,4-dihydro-1,4-methanonaphthalene

Structural Information

Molecular Formula
C11H10
SMILES
C1C2C=CC1C3=CC=CC=C23
InChI
InChI=1S/C11H10/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h1-6,8-9H,7H2
InChIKey
IEGYXSAHRKJELM-UHFFFAOYSA-N
Compound name
tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

502
Patents

142.07825 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.085526 128.5
[M+Na]+ 165.067468 138.1
[M-H]- 141.070974 133.1
[M+NH4]+ 160.112073 156.5
[M+K]+ 181.041408 134.6
[M+H-H2O]+ 125.075510 124.3
[M+HCOO]- 187.076451 152.1
[M+CH3COO]- 201.092101 143.7
[M+Na-2H]- 163.052916 135.6
[M]+ 142.07770142 129.1
[M]- 142.07879858 129.1
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