CID 303841

3118-16-9

Structural Information

Molecular Formula
C11H11NO
SMILES
C1CC2C3=CC=CC=C3C1C(=O)N2
InChI
InChI=1S/C11H11NO/c13-11-9-5-6-10(12-11)8-4-2-1-3-7(8)9/h1-4,9-10H,5-6H2,(H,12,13)
InChIKey
BPBPNUGGTKXXAM-UHFFFAOYSA-N
Compound name
9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

173.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 133.1
[M+Na]+ 196.073278 139.0
[M-H]- 172.076784 130.4
[M+NH4]+ 191.117883 156.0
[M+K]+ 212.047218 135.0
[M+H-H2O]+ 156.081320 127.1
[M+HCOO]- 218.082261 144.5
[M+CH3COO]- 232.097911 144.1
[M+Na-2H]- 194.058726 145.1
[M]+ 173.08351142 132.2
[M]- 173.08460858 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe