CID 43559

Antibiotic xk 90

Structural Information

Molecular Formula

C₉H₁₀N₂O₃

SMILES

CC(=O)NNC1=CC(=C(C=C1)O)C=O

InChI

InChI=1S/C9H10N2O3/c1-6(13)10-11-8-2-3-9(14)7(4-8)5-12/h2-5,11,14H,1H3,(H,10,13)

InChIKey

YDBZUOZFGKBIBT-UHFFFAOYSA-N

Compound name

N'-(3-formyl-4-hydroxyphenyl)acetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 194.06914 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]+	195.07642	140.8
[M+Na]+	217.05836	150.6
[M+NH4]+	212.10296	147.1
[M+K]+	233.03230	146.3
[M-H]-	193.06186	141.9
[M+Na-2H]-	215.04381	145.7
[M]+	194.06859	142.0
[M]-	194.06969	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe