CID 135400267

4-hydroxybenzaldehyde semicarbazone

Structural Information

Molecular Formula

C₈H₉N₃O₂

SMILES

C1=CC(=CC=C1/C=N/NC(=O)N)O

InChI

InChI=1S/C8H9N3O2/c9-8(13)11-10-5-6-1-3-7(12)4-2-6/h1-5,12H,(H3,9,11,13)/b10-5+

InChIKey

VDPCABXJOAHHDE-BJMVGYQFSA-N

Compound name

[(E)-(4-hydroxyphenyl)methylideneamino]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 179.06947 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]+	180.07675	137.3
[M+Na]+	202.05869	146.4
[M+NH4]+	197.10329	144.1
[M+K]+	218.03263	141.9
[M-H]-	178.06219	139.5
[M+Na-2H]-	200.04414	143.0
[M]+	179.06892	138.7
[M]-	179.07002	138.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.