CID 261675

4,7-methano-1h-inden-1-one, 2,3,3a,4,7,7a-hexahydro-

Structural Information

Molecular Formula
C10H12O
SMILES
C1CC(=O)C2C1C3CC2C=C3
InChI
InChI=1S/C10H12O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-8,10H,3-5H2
InChIKey
NDZKBCKGQBZZFM-UHFFFAOYSA-N
Compound name
tricyclo[5.2.1.02,6]dec-8-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

148.08882 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 131.1
[M+Na]+ 171.07804 140.1
[M+NH4]+ 166.12264 141.9
[M+K]+ 187.05198 139.2
[M-H]- 147.08154 132.0
[M+Na-2H]- 169.06349 132.2
[M]+ 148.08827 132.4
[M]- 148.08937 132.4
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