CID 2760515

3-pyridylthiourea

Structural Information

Molecular Formula
C6H7N3S
SMILES
C1=CC(=CN=C1)NC(=S)N
InChI
InChI=1S/C6H7N3S/c7-6(10)9-5-2-1-3-8-4-5/h1-4H,(H3,7,9,10)
InChIKey
CFOJQUGXHMGMOT-UHFFFAOYSA-N
Compound name
pyridin-3-ylthiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

271
Patents

153.03607 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.043346 128.3
[M+Na]+ 176.025288 135.8
[M-H]- 152.028794 130.4
[M+NH4]+ 171.069893 147.7
[M+K]+ 191.999228 132.5
[M+H-H2O]+ 136.033330 121.7
[M+HCOO]- 198.034271 147.8
[M+CH3COO]- 212.049921 177.0
[M+Na-2H]- 174.010736 133.4
[M]+ 153.03552142 125.8
[M]- 153.03661858 125.8
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