CID 79150

1200-89-1

Structural Information

Molecular Formula
C11H10O2
SMILES
C1C2C=CC1C3C2C(=O)C=CC3=O
InChI
InChI=1S/C11H10O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-4,6-7,10-11H,5H2
InChIKey
FQLRTGXTYFCECH-UHFFFAOYSA-N
Compound name
tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

75
Patents

174.06808 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 135.3
[M+Na]+ 197.05730 145.0
[M-H]- 173.06080 139.8
[M+NH4]+ 192.10190 162.2
[M+K]+ 213.03124 141.6
[M+H-H2O]+ 157.06534 131.7
[M+HCOO]- 219.06628 156.6
[M+CH3COO]- 233.08193 149.8
[M+Na-2H]- 195.04275 139.4
[M]+ 174.06753 135.3
[M]- 174.06863 135.3
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