CID 1490491

1-(pyridin-2-yl)thiourea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1027
Patents

153.03607 Da
Monoisotopic Mass

0.6
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

literature stripe

Patent stripe

patents stripe