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]+ 188.10700 132.6
[M+Na]+ 210.08894 136.8
[M+NH4]+ 205.13354 137.2
[M+K]+ 226.06288 135.8
[M-H]- 186.09244 130.2
[M+Na-2H]- 208.07439 132.6
[M]+ 187.09917 131.8
[M]- 187.10027 131.8
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.