CID 2386020

34955-25-4

Structural Information

Molecular Formula
C6H8N4S
SMILES
C1=CC(=CN=C1)NC(=S)NN
InChI
InChI=1S/C6H8N4S/c7-10-6(11)9-5-2-1-3-8-4-5/h1-4H,7H2,(H2,9,10,11)
InChIKey
IZZXENNHSGUQCV-UHFFFAOYSA-N
Compound name
1-amino-3-pyridin-3-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

168.04697 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05425 132.0
[M+Na]+ 191.03619 141.2
[M+NH4]+ 186.08079 140.0
[M+K]+ 207.01013 134.4
[M-H]- 167.03969 134.8
[M+Na-2H]- 189.02164 138.4
[M]+ 168.04642 134.2
[M]- 168.04752 134.2
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

patents stripe