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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.076746 135.6
[M+Na]+ 202.058688 142.1
[M-H]- 178.062194 139.1
[M+NH4]+ 197.103293 154.4
[M+K]+ 218.032628 140.3
[M+H-H2O]+ 162.066730 128.8
[M+HCOO]- 224.067671 162.7
[M+CH3COO]- 238.083321 185.7
[M+Na-2H]- 200.044136 142.1
[M]+ 179.06892142 132.8
[M]- 179.07001858 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.