CID 73012342

1-(6-methoxypyridin-2-yl)thiourea

Structural Information

Molecular Formula
C7H9N3OS
SMILES
COC1=CC=CC(=N1)NC(=S)N
InChI
InChI=1S/C7H9N3OS/c1-11-6-4-2-3-5(9-6)10-7(8)12/h2-4H,1H3,(H3,8,9,10,12)
InChIKey
WVMROAFZNDGOTQ-UHFFFAOYSA-N
Compound name
(6-methoxypyridin-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.04663 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05391 136.7
[M+Na]+ 206.03585 146.9
[M+NH4]+ 201.08045 144.5
[M+K]+ 222.00979 140.1
[M-H]- 182.03935 138.8
[M+Na-2H]- 204.02130 142.4
[M]+ 183.04608 138.9
[M]- 183.04718 138.9
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