CID 385914

Nsc677376

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃

SMILES

COC1=CC=CC=C1NC(=O)CC(=O)NN

InChI

InChI=1S/C10H13N3O3/c1-16-8-5-3-2-4-7(8)12-9(14)6-10(15)13-11/h2-5H,6,11H2,1H3,(H,12,14)(H,13,15)

InChIKey

DITYLVOVXJXGLN-UHFFFAOYSA-N

Compound name

3-hydrazinyl-N-(2-methoxyphenyl)-3-oxopropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 223.09569 Da
Monoisotopic Mass: 0.3
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]+	224.102966	148.1
[M+Na]+	246.084908	153.3
[M-H]-	222.088414	151.3
[M+NH4]+	241.129513	164.9
[M+K]+	262.058848	152.2
[M+H-H2O]+	206.092950	140.7
[M+HCOO]-	268.093891	173.8
[M+CH3COO]-	282.109541	194.9
[M+Na-2H]-	244.070356	152.3
[M]+	223.09514142	146.8
[M]-	223.09623858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe