CID 86665594

(2-methoxypyridin-3-yl)thiourea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

183.04663 Da
Monoisotopic Mass

0.4
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

No literature data available for this compound.

Patent stripe

patents stripe