CID 15331

Daminozide

Structural Information

Molecular Formula

C₆H₁₂N₂O₃

SMILES

CN(C)NC(=O)CCC(=O)O

InChI

InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)

InChIKey

NOQGZXFMHARMLW-UHFFFAOYSA-N

Compound name

4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 71
References: 30147
Patents: 160.0848 Da
Monoisotopic Mass: -3.1
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]+	161.09208	134.8
[M+Na]+	183.07402	141.4
[M+NH4]+	178.11862	140.4
[M+K]+	199.04796	139.1
[M-H]-	159.07752	133.1
[M+Na-2H]-	181.05947	136.4
[M]+	160.08425	134.6
[M]-	160.08535	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe