CID 54807

4,9-dioxo-5,10-diazatetradecane

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CCCCNC(=O)CCCNC(=O)CCC
InChI
InChI=1S/C12H24N2O2/c1-3-5-9-13-12(16)8-6-10-14-11(15)7-4-2/h3-10H2,1-2H3,(H,13,16)(H,14,15)
InChIKey
XINVHMDEILNBAV-UHFFFAOYSA-N
Compound name
4-(butanoylamino)-N-butylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.18378 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 158.9
[M+Na]+ 251.17300 162.1
[M-H]- 227.17650 158.2
[M+NH4]+ 246.21760 176.4
[M+K]+ 267.14694 160.9
[M+H-H2O]+ 211.18104 152.3
[M+HCOO]- 273.18198 181.6
[M+CH3COO]- 287.19763 197.6
[M+Na-2H]- 249.15845 160.6
[M]+ 228.18323 160.8
[M]- 228.18433 160.8
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

No patent data available for this compound.