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
2
Annotation Hits

0
References

31
Patents

173.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 134.9
[M+Na]+ 196.073278 143.2
[M-H]- 172.076784 136.1
[M+NH4]+ 191.117883 157.8
[M+K]+ 212.047218 138.7
[M+H-H2O]+ 156.081320 129.3
[M+HCOO]- 218.082261 152.4
[M+CH3COO]- 232.097911 147.6
[M+Na-2H]- 194.058726 141.7
[M]+ 173.08351142 131.6
[M]- 173.08460858 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