CID 9567551

4-formyl-3-methylpyridine 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-methylpyridin-4-yl)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]+ 195.06990 140.1
[M+Na]+ 217.05184 147.4
[M-H]- 193.05534 143.6
[M+NH4]+ 212.09644 158.4
[M+K]+ 233.02578 143.9
[M+H-H2O]+ 177.05988 132.5
[M+HCOO]- 239.06082 161.5
[M+CH3COO]- 253.07647 190.3
[M+Na-2H]- 215.03729 144.4
[M]+ 194.06207 139.0
[M]- 194.06317 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.