CID 11332462

3-diazo-2-piperidinone

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1CC(=[N+]=[N-])C(=O)NC1
InChI
InChI=1S/C5H7N3O/c6-8-4-2-1-3-7-5(4)9/h1-3H2,(H,7,9)
InChIKey
SHPIODBBHQGMOA-UHFFFAOYSA-N
Compound name
3-diazopiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

125.058914 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 122.3
[M+Na]+ 148.04813 128.3
[M-H]- 124.05164 124.2
[M+NH4]+ 143.09274 142.0
[M+K]+ 164.02207 121.9
[M+H-H2O]+ 108.05617 120.9
[M+HCOO]- 170.05712 145.9
[M+CH3COO]- 184.07276 164.5
[M+Na-2H]- 146.03358 131.4
[M]+ 125.05837 113.2
[M]- 125.05946 113.2
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

No patent data available for this compound.