CID 391816

Nsc691403

Structural Information

Molecular Formula
C9H17N3O3
SMILES
CNC(=O)CNC(=O)CCC(=O)N(C)C
InChI
InChI=1S/C9H17N3O3/c1-10-8(14)6-11-7(13)4-5-9(15)12(2)3/h4-6H2,1-3H3,(H,10,14)(H,11,13)
InChIKey
AUMNXVYYRPTIGD-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.127 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13428 151.0
[M+Na]+ 238.11622 154.8
[M-H]- 214.11972 152.4
[M+NH4]+ 233.16082 169.1
[M+K]+ 254.09016 156.4
[M+H-H2O]+ 198.12426 144.3
[M+HCOO]- 260.12520 175.7
[M+CH3COO]- 274.14085 198.6
[M+Na-2H]- 236.10167 152.6
[M]+ 215.12645 152.2
[M]- 215.12755 152.2
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

No patent data available for this compound.