CID 73012342

1235325-70-8

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 136.2
[M+Na]+ 206.03585 143.9
[M-H]- 182.03935 138.4
[M+NH4]+ 201.08045 154.5
[M+K]+ 222.00979 140.9
[M+H-H2O]+ 166.04389 129.3
[M+HCOO]- 228.04483 155.5
[M+CH3COO]- 242.06048 183.3
[M+Na-2H]- 204.02130 140.1
[M]+ 183.04608 135.8
[M]- 183.04718 135.8
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