CID 206819

Brn 0650075

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]+ 201.10224 141.6
[M+Na]+ 223.08418 151.5
[M-H]- 199.08768 146.0
[M+NH4]+ 218.12878 161.8
[M+K]+ 239.05812 150.7
[M+H-H2O]+ 183.09222 135.4
[M+HCOO]- 245.09316 161.6
[M+CH3COO]- 259.10881 154.9
[M+Na-2H]- 221.06963 148.4
[M]+ 200.09441 141.2
[M]- 200.09551 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