CID 206819

28740-85-4

Structural Information

Molecular Formula
C12H12N2O
SMILES
CN1CCN2C=CC3=C2C(=CC=C3)C1=O
InChI
InChI=1S/C12H12N2O/c1-13-7-8-14-6-5-9-3-2-4-10(11(9)14)12(13)15/h2-6H,7-8H2,1H3
InChIKey
GWQBEKSODFNXDK-UHFFFAOYSA-N
Compound name
10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

200.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 141.6
[M+Na]+ 223.084178 151.5
[M-H]- 199.087684 146.0
[M+NH4]+ 218.128783 161.8
[M+K]+ 239.058118 150.7
[M+H-H2O]+ 183.092220 135.4
[M+HCOO]- 245.093161 161.6
[M+CH3COO]- 259.108811 154.9
[M+Na-2H]- 221.069626 148.4
[M]+ 200.09441142 141.2
[M]- 200.09550858 141.2
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