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]+ 180.07675 135.6
[M+Na]+ 202.05869 142.1
[M-H]- 178.06219 139.1
[M+NH4]+ 197.10329 154.4
[M+K]+ 218.03263 140.3
[M+H-H2O]+ 162.06673 128.8
[M+HCOO]- 224.06767 162.7
[M+CH3COO]- 238.08332 185.7
[M+Na-2H]- 200.04414 142.1
[M]+ 179.06892 132.8
[M]- 179.07002 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.