CID 170228

39615-79-7

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

CNC(=O)N(C)C(=O)CC#N

InChI

InChI=1S/C6H9N3O2/c1-8-6(11)9(2)5(10)3-4-7/h3H2,1-2H3,(H,8,11)

InChIKey

DBEIAMRYPAJZHO-UHFFFAOYSA-N

Compound name

2-cyano-N-methyl-N-(methylcarbamoyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 115
Patents: 155.06947 Da
Monoisotopic Mass: -0.2
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]+	156.076746	134.6
[M+Na]+	178.058688	142.0
[M-H]-	154.062194	136.6
[M+NH4]+	173.103293	153.3
[M+K]+	194.032628	143.7
[M+H-H2O]+	138.066730	122.3
[M+HCOO]-	200.067671	155.9
[M+CH3COO]-	214.083321	195.6
[M+Na-2H]-	176.044136	138.4
[M]+	155.06892142	130.2
[M]-	155.07001858	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe