CID 9576136

Benzaldehyde, thiocarbazone

Structural Information

Molecular Formula

C₈H₁₀N₄S

SMILES

C1=CC=C(C=C1)/C=N/NC(=S)NN

InChI

InChI=1S/C8H10N4S/c9-11-8(13)12-10-6-7-4-2-1-3-5-7/h1-6H,9H2,(H2,11,12,13)/b10-6+

InChIKey

IZAXVUNREMHNOM-UXBLZVDNSA-N

Compound name

1-amino-3-[(E)-benzylideneamino]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.06262 Da
Monoisotopic Mass: 1.5
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]+	195.069896	138.7
[M+Na]+	217.051838	144.2
[M-H]-	193.055344	143.0
[M+NH4]+	212.096443	157.6
[M+K]+	233.025778	140.8
[M+H-H2O]+	177.059880	131.2
[M+HCOO]-	239.060821	162.2
[M+CH3COO]-	253.076471	191.0
[M+Na-2H]-	215.037286	144.1
[M]+	194.06207142	135.8
[M]-	194.06316858	135.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.