CID 9567551

3-picoline-4-carboxaldehyde, thiosemicarbazone

Structural Information

Molecular Formula
C8H10N4S
SMILES
CC1=C(C=CN=C1)/C=N/NC(=S)N
InChI
InChI=1S/C8H10N4S/c1-6-4-10-3-2-7(6)5-11-12-8(9)13/h2-5H,1H3,(H3,9,12,13)/b11-5+
InChIKey
UJWSYUQARHWWFW-VZUCSPMQSA-N
Compound name
[(E)-(3-methyl-4-pyridinyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06262 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.069896 140.1
[M+Na]+ 217.051838 147.4
[M-H]- 193.055344 143.6
[M+NH4]+ 212.096443 158.4
[M+K]+ 233.025778 143.9
[M+H-H2O]+ 177.059880 132.5
[M+HCOO]- 239.060821 161.5
[M+CH3COO]- 253.076471 190.3
[M+Na-2H]- 215.037286 144.4
[M]+ 194.06207142 139.0
[M]- 194.06316858 139.0
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

No patent data available for this compound.