CID 373589

Nsc650042

Structural Information

Molecular Formula

C₈H₁₃N₃O₃

SMILES

CNC(=O)CN1CC(=O)N(C(=O)C1)C

InChI

InChI=1S/C8H13N3O3/c1-9-6(12)3-11-4-7(13)10(2)8(14)5-11/h3-5H2,1-2H3,(H,9,12)

InChIKey

KFDAHTSXWOSQHC-UHFFFAOYSA-N

Compound name

N-methyl-2-(4-methyl-3,5-dioxopiperazin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.09569 Da
Monoisotopic Mass: -1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.10297	142.6
[M+Na]+	222.08491	149.8
[M-H]-	198.08841	143.4
[M+NH4]+	217.12951	159.1
[M+K]+	238.05885	148.8
[M+H-H2O]+	182.09295	135.5
[M+HCOO]-	244.09389	161.7
[M+CH3COO]-	258.10954	187.1
[M+Na-2H]-	220.07036	145.5
[M]+	199.09514	140.8
[M]-	199.09624	140.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.