CID 13485709

Brn 5520197

Structural Information

Molecular Formula
C12H13NO
SMILES
CN1C2CC(C2)C3=CC=CC=C3C1=O
InChI
InChI=1S/C12H13NO/c1-13-9-6-8(7-9)10-4-2-3-5-11(10)12(13)14/h2-5,8-9H,6-7H2,1H3
InChIKey
UYUHZEXZBVKXGA-UHFFFAOYSA-N
Compound name
9-methyl-9-azatricyclo[8.1.1.02,7]dodeca-2,4,6-trien-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09972 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.106996 158.9
[M+Na]+ 210.088938 168.7
[M-H]- 186.092444 163.7
[M+NH4]+ 205.133543 174.5
[M+K]+ 226.062878 166.9
[M+H-H2O]+ 170.096980 156.7
[M+HCOO]- 232.097921 172.3
[M+CH3COO]- 246.113571 169.5
[M+Na-2H]- 208.074386 166.9
[M]+ 187.09917142 166.3
[M]- 187.10026858 166.3
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

No patent data available for this compound.