CID 139016620

7-oxo-1,4-diazepane-5-carboxamide

Structural Information

Molecular Formula
C6H11N3O2
SMILES
C1CNC(=O)CC(N1)C(=O)N
InChI
InChI=1S/C6H11N3O2/c7-6(11)4-3-5(10)9-2-1-8-4/h4,8H,1-3H2,(H2,7,11)(H,9,10)
InChIKey
RUZDZKUNYQUIKL-UHFFFAOYSA-N
Compound name
7-oxo-1,4-diazepane-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.08513 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09241 130.3
[M+Na]+ 180.07435 136.2
[M+NH4]+ 175.11895 135.2
[M+K]+ 196.04829 135.1
[M-H]- 156.07785 128.6
[M+Na-2H]- 178.05980 132.6
[M]+ 157.08458 130.0
[M]- 157.08568 130.0
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.