CID 281607

1h-1,4-diazepine-5,7(2h,6h)-dione, dihydro-6,6-diethyl-

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CCC1(C(=O)NCCNC1=O)CC
InChI
InChI=1S/C9H16N2O2/c1-3-9(4-2)7(12)10-5-6-11-8(9)13/h3-6H2,1-2H3,(H,10,12)(H,11,13)
InChIKey
DMXGDHINDUZNDJ-UHFFFAOYSA-N
Compound name
6,6-diethyl-1,4-diazepane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 137.3
[M+Na]+ 207.11041 142.3
[M-H]- 183.11391 136.5
[M+NH4]+ 202.15501 153.9
[M+K]+ 223.08435 143.5
[M+H-H2O]+ 167.11845 130.7
[M+HCOO]- 229.11939 152.2
[M+CH3COO]- 243.13504 178.9
[M+Na-2H]- 205.09586 141.1
[M]+ 184.12064 129.8
[M]- 184.12174 129.8
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.