CID 206809

Brn 0013033

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1CN2CCC(=O)NC3=CC=CC1=C32
InChI
InChI=1S/C11H12N2O/c14-10-5-7-13-6-4-8-2-1-3-9(12-10)11(8)13/h1-3H,4-7H2,(H,12,14)
InChIKey
QYVKRKVNZMJXRN-UHFFFAOYSA-N
Compound name
1,9-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

188.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 139.7
[M+Na]+ 211.084178 146.7
[M-H]- 187.087684 141.8
[M+NH4]+ 206.128783 159.1
[M+K]+ 227.058118 145.5
[M+H-H2O]+ 171.092220 133.3
[M+HCOO]- 233.093161 155.9
[M+CH3COO]- 247.108811 151.3
[M+Na-2H]- 209.069626 145.4
[M]+ 188.09441142 134.1
[M]- 188.09550858 134.1
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