CID 135499640

1-(p-hydroxybenzylidene)thiosemicarbazide

Structural Information

Molecular Formula
C8H9N3OS
SMILES
C1=CC(=CC=C1/C=N\NC(=S)N)O
InChI
InChI=1S/C8H9N3OS/c9-8(13)11-10-5-6-1-3-7(12)4-2-6/h1-5,12H,(H3,9,11,13)/b10-5-
InChIKey
IKDRFCOUGSBGNI-YHYXMXQVSA-N
Compound name
[(Z)-(4-hydroxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04663 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05391 139.3
[M+Na]+ 218.03585 145.9
[M-H]- 194.03935 142.6
[M+NH4]+ 213.08045 158.0
[M+K]+ 234.00979 142.1
[M+H-H2O]+ 178.04389 132.5
[M+HCOO]- 240.04483 160.5
[M+CH3COO]- 254.06048 187.3
[M+Na-2H]- 216.02130 143.0
[M]+ 195.04608 137.2
[M]- 195.04718 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe