CID 371381

Nsc645600

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC1C2CC(=CC=NN2C1=O)C
InChI
InChI=1S/C9H12N2O/c1-6-3-4-10-11-8(5-6)7(2)9(11)12/h3-4,7-8H,5H2,1-2H3
InChIKey
ZYPOEMSYIBJTHU-UHFFFAOYSA-N
Compound name
5,8-dimethyl-1,2-diazabicyclo[5.2.0]nona-2,4-dien-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.09496 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 130.9
[M+Na]+ 187.08418 138.6
[M-H]- 163.08768 134.5
[M+NH4]+ 182.12878 143.5
[M+K]+ 203.05812 142.4
[M+H-H2O]+ 147.09222 121.0
[M+HCOO]- 209.09316 149.4
[M+CH3COO]- 223.10881 186.4
[M+Na-2H]- 185.06963 137.0
[M]+ 164.09441 137.3
[M]- 164.09551 137.3
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.