CID 120191

4,7-methanoindene

Structural Information

Molecular Formula
C10H8
SMILES
C1C=CC2=C3CC(=C21)C=C3
InChI
InChI=1S/C10H8/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5H,3,6H2
InChIKey
RUNKSQBQFFBFPZ-UHFFFAOYSA-N
Compound name
tricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

128.0626 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.069876 126.6
[M+Na]+ 151.051818 137.5
[M-H]- 127.055324 131.9
[M+NH4]+ 146.096423 156.9
[M+K]+ 167.025758 134.7
[M+H-H2O]+ 111.059860 123.3
[M+HCOO]- 173.060801 152.7
[M+CH3COO]- 187.076451 142.8
[M+Na-2H]- 149.037266 132.6
[M]+ 128.06205142 129.3
[M]- 128.06314858 129.3
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