CID 10130184

357426-13-2

Structural Information

Molecular Formula
C11H11NO
SMILES
C1C2CNC(=O)C1C3=CC=CC=C23
InChI
InChI=1S/C11H11NO/c13-11-10-5-7(6-12-11)8-3-1-2-4-9(8)10/h1-4,7,10H,5-6H2,(H,12,13)
InChIKey
DTPZUFKPINOVKL-UHFFFAOYSA-N
Compound name
10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

173.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 135.8
[M+Na]+ 196.07328 148.1
[M+NH4]+ 191.11788 146.0
[M+K]+ 212.04722 142.6
[M-H]- 172.07678 137.2
[M+Na-2H]- 194.05873 139.3
[M]+ 173.08351 137.8
[M]- 173.08461 137.8
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

patents stripe