CID 10245

Dtxsid10941995

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1C2CNCC1C3=CC=CC(=O)N3C2
InChI
InChI=1S/C12H16N2O/c1-8-9-5-13-6-10(8)11-3-2-4-12(15)14(11)7-9/h2-4,8-10,13H,5-7H2,1H3
InChIKey
RGKIXECTVPHJLM-UHFFFAOYSA-N
Compound name
13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 144.8
[M+Na]+ 227.115488 152.5
[M-H]- 203.118994 144.1
[M+NH4]+ 222.160093 163.3
[M+K]+ 243.089428 147.7
[M+H-H2O]+ 187.123530 137.4
[M+HCOO]- 249.124471 158.1
[M+CH3COO]- 263.140121 155.7
[M+Na-2H]- 225.100936 152.0
[M]+ 204.12572142 140.5
[M]- 204.12681858 140.5
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

No patent data available for this compound.