CID 3067787

Butanamide, n-(4-amino-4-oxobutyl)-

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CCCC(=O)NCCCC(=O)N
InChI
InChI=1S/C8H16N2O2/c1-2-4-8(12)10-6-3-5-7(9)11/h2-6H2,1H3,(H2,9,11)(H,10,12)
InChIKey
RTYMPMXBDIUTRV-UHFFFAOYSA-N
Compound name
4-(butanoylamino)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

172.12119 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 140.8
[M+Na]+ 195.11041 145.6
[M-H]- 171.11391 140.2
[M+NH4]+ 190.15501 160.1
[M+K]+ 211.08435 145.1
[M+H-H2O]+ 155.11845 134.9
[M+HCOO]- 217.11939 164.2
[M+CH3COO]- 231.13504 185.5
[M+Na-2H]- 193.09586 143.5
[M]+ 172.12064 140.2
[M]- 172.12174 140.2
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

patents stripe