CID 3016225

40835-49-2

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₃

SMILES

C1=CC(=CC(=C1)OCCC(=O)NN)C(=O)NN

InChI

InChI=1S/C10H14N4O3/c11-13-9(15)4-5-17-8-3-1-2-7(6-8)10(16)14-12/h1-3,6H,4-5,11-12H2,(H,13,15)(H,14,16)

InChIKey

BQCNQKVFYWCAKM-UHFFFAOYSA-N

Compound name

3-(3-hydrazinyl-3-oxopropoxy)benzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.1066 Da
Monoisotopic Mass: -1.1
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]+	239.113876	150.8
[M+Na]+	261.095818	155.1
[M-H]-	237.099324	153.4
[M+NH4]+	256.140423	166.3
[M+K]+	277.069758	153.9
[M+H-H2O]+	221.103860	142.9
[M+HCOO]-	283.104801	176.8
[M+CH3COO]-	297.120451	200.0
[M+Na-2H]-	259.081266	154.5
[M]+	238.10605142	147.8
[M]-	238.10714858	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.