CID 420297

826-65-3

Structural Information

Molecular Formula
C10H8O2
SMILES
C1=CC2C3C(C1C2=O)C=CC3=O
InChI
InChI=1S/C10H8O2/c11-8-4-3-5-6-1-2-7(9(5)8)10(6)12/h1-7,9H
InChIKey
CQDFTDKTCBPRCW-UHFFFAOYSA-N
Compound name
tricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

160.05243 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 133.5
[M+Na]+ 183.04165 144.4
[M-H]- 159.04515 138.7
[M+NH4]+ 178.08625 162.6
[M+K]+ 199.01559 141.5
[M+H-H2O]+ 143.04969 130.9
[M+HCOO]- 205.05063 157.3
[M+CH3COO]- 219.06628 149.0
[M+Na-2H]- 181.02710 136.6
[M]+ 160.05188 135.4
[M]- 160.05298 135.4
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