CID 13670222

Propanoic acid, 3-hydroxy-, 1-(3-amino-3-oxopropyl)-2,2-dimethylhydrazide

Structural Information

Molecular Formula

C₈H₁₇N₃O₃

SMILES

CN(C)N(CCC(=O)N)C(=O)CCO

InChI

InChI=1S/C8H17N3O3/c1-10(2)11(5-3-7(9)13)8(14)4-6-12/h12H,3-6H2,1-2H3,(H2,9,13)

InChIKey

CMJXMMFUHPQFPL-UHFFFAOYSA-N

Compound name

3-[dimethylamino(3-hydroxypropanoyl)amino]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.127 Da
Monoisotopic Mass: -1.9
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]+	204.134276	147.7
[M+Na]+	226.116218	151.5
[M-H]-	202.119724	148.6
[M+NH4]+	221.160823	165.8
[M+K]+	242.090158	153.5
[M+H-H2O]+	186.124260	140.9
[M+HCOO]-	248.125201	171.8
[M+CH3COO]-	262.140851	197.2
[M+Na-2H]-	224.101666	148.7
[M]+	203.12645142	148.3
[M]-	203.12754858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe