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

1
Patents

125.058914 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 122.3
[M+Na]+ 148.048132 128.3
[M-H]- 124.051638 124.2
[M+NH4]+ 143.092737 142.0
[M+K]+ 164.022072 121.9
[M+H-H2O]+ 108.056174 120.9
[M+HCOO]- 170.057115 145.9
[M+CH3COO]- 184.072765 164.5
[M+Na-2H]- 146.033580 131.4
[M]+ 125.05836542 113.2
[M]- 125.05946258 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

patents stripe