CID 11971394

95050-20-7

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CCC1(C(=O)N(CCN(C1=O)CC)CC)CC
InChI
InChI=1S/C13H24N2O2/c1-5-13(6-2)11(16)14(7-3)9-10-15(8-4)12(13)17/h5-10H2,1-4H3
InChIKey
GUWVRBXMSQGRDU-UHFFFAOYSA-N
Compound name
1,4,6,6-tetraethyl-1,4-diazepane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 149.3
[M+Na]+ 263.17300 155.3
[M-H]- 239.17650 151.2
[M+NH4]+ 258.21760 165.8
[M+K]+ 279.14694 157.4
[M+H-H2O]+ 223.18104 142.3
[M+HCOO]- 285.18198 165.9
[M+CH3COO]- 299.19763 197.3
[M+Na-2H]- 261.15845 151.2
[M]+ 240.18323 147.5
[M]- 240.18433 147.5
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.