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

7
Annotation Hits: 73
References: 43348
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	134.3
[M+Na]+	183.07402	139.6
[M-H]-	159.07752	134.7
[M+NH4]+	178.11862	154.2
[M+K]+	199.04796	141.0
[M+H-H2O]+	143.08206	128.7
[M+HCOO]-	205.08300	158.2
[M+CH3COO]-	219.09865	183.1
[M+Na-2H]-	181.05947	137.9
[M]+	160.08425	134.8
[M]-	160.08535	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe