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
1
Annotation Hits

0
References

217
Patents

153.03607 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04335 128.7
[M+Na]+ 176.02529 139.3
[M+NH4]+ 171.06989 137.3
[M+K]+ 191.99923 131.9
[M-H]- 152.02879 131.4
[M+Na-2H]- 174.01074 135.4
[M]+ 153.03552 131.2
[M]- 153.03662 131.2
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