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 134.9
[M+Na]+ 196.07328 143.2
[M-H]- 172.07678 136.1
[M+NH4]+ 191.11788 157.8
[M+K]+ 212.04722 138.7
[M+H-H2O]+ 156.08132 129.3
[M+HCOO]- 218.08226 152.4
[M+CH3COO]- 232.09791 147.6
[M+Na-2H]- 194.05873 141.7
[M]+ 173.08351 131.6
[M]- 173.08461 131.6
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