CID 353445

Diazodimedone

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1(CC(=O)C(=[N+]=[N-])C(=O)C1)C
InChI
InChI=1S/C8H10N2O2/c1-8(2)3-5(11)7(10-9)6(12)4-8/h3-4H2,1-2H3
InChIKey
DMOYBIUAWCVPLF-UHFFFAOYSA-N
Compound name
2-diazo-5,5-dimethylcyclohexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

144
Patents

166.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 130.5
[M+Na]+ 189.06345 138.7
[M-H]- 165.06695 135.9
[M+NH4]+ 184.10805 153.2
[M+K]+ 205.03739 132.8
[M+H-H2O]+ 149.07149 130.9
[M+HCOO]- 211.07243 156.3
[M+CH3COO]- 225.08808 176.6
[M+Na-2H]- 187.04890 138.5
[M]+ 166.07368 125.7
[M]- 166.07478 125.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe