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 158.9
[M+Na]+ 210.08894 168.7
[M-H]- 186.09244 163.7
[M+NH4]+ 205.13354 174.5
[M+K]+ 226.06288 166.9
[M+H-H2O]+ 170.09698 156.7
[M+HCOO]- 232.09792 172.3
[M+CH3COO]- 246.11357 169.5
[M+Na-2H]- 208.07439 166.9
[M]+ 187.09917 166.3
[M]- 187.10027 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.