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]+ 185.128466 137.3
[M+Na]+ 207.110408 142.3
[M-H]- 183.113914 136.5
[M+NH4]+ 202.155013 153.9
[M+K]+ 223.084348 143.5
[M+H-H2O]+ 167.118450 130.7
[M+HCOO]- 229.119391 152.2
[M+CH3COO]- 243.135041 178.9
[M+Na-2H]- 205.095856 141.1
[M]+ 184.12064142 129.8
[M]- 184.12173858 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.