CID 119682

4,7-methano-1h-indenone

Structural Information

Molecular Formula
C10H12O
SMILES
C1CC2CC1C3C2C(=O)C=C3
InChI
InChI=1S/C10H12O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h3-4,6-8,10H,1-2,5H2
InChIKey
CTAISZUVUFKTID-UHFFFAOYSA-N
Compound name
tricyclo[5.2.1.02,6]dec-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

148.08882 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 134.1
[M+Na]+ 171.07804 142.9
[M-H]- 147.08154 138.5
[M+NH4]+ 166.12264 163.4
[M+K]+ 187.05198 140.3
[M+H-H2O]+ 131.08608 131.0
[M+HCOO]- 193.08702 156.1
[M+CH3COO]- 207.10267 148.7
[M+Na-2H]- 169.06349 136.6
[M]+ 148.08827 133.4
[M]- 148.08937 133.4
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