CID 2759590

71058-34-9

Structural Information

Molecular Formula
C9H13N3OS
SMILES
CC1=CC(=C(C=C1)OC)NC(=S)NN
InChI
InChI=1S/C9H13N3OS/c1-6-3-4-8(13-2)7(5-6)11-9(14)12-10/h3-5H,10H2,1-2H3,(H2,11,12,14)
InChIKey
DOGCFONJOWBXML-UHFFFAOYSA-N
Compound name
1-amino-3-(2-methoxy-5-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07793 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08521 145.7
[M+Na]+ 234.06715 154.7
[M+NH4]+ 229.11175 153.4
[M+K]+ 250.04109 147.7
[M-H]- 210.07065 148.8
[M+Na-2H]- 232.05260 150.8
[M]+ 211.07738 147.9
[M]- 211.07848 147.9
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

No patent data available for this compound.