CID 21156073

Hexanamide, 2-amino-3,5-dioxo-

Structural Information

Molecular Formula
C6H10N2O3
SMILES
CC(=O)CC(=O)C(C(=O)N)N
InChI
InChI=1S/C6H10N2O3/c1-3(9)2-4(10)5(7)6(8)11/h5H,2,7H2,1H3,(H2,8,11)
InChIKey
AGPAVMYFSJQJNN-UHFFFAOYSA-N
Compound name
2-amino-3,5-dioxohexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.06914 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.07642 133.8
[M+Na]+ 181.05836 139.1
[M-H]- 157.06186 133.2
[M+NH4]+ 176.10296 153.0
[M+K]+ 197.03230 139.7
[M+H-H2O]+ 141.06640 128.3
[M+HCOO]- 203.06734 155.6
[M+CH3COO]- 217.08299 182.7
[M+Na-2H]- 179.04381 134.0
[M]+ 158.06859 130.9
[M]- 158.06969 130.9
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.