CID 17844094

420130-75-2

Structural Information

Molecular Formula
C7H9N3S
SMILES
CC1=NC=C(C=C1)NC(=S)N
InChI
InChI=1S/C7H9N3S/c1-5-2-3-6(4-9-5)10-7(8)11/h2-4H,1H3,(H3,8,10,11)
InChIKey
NEMBSCQLZMJIQE-UHFFFAOYSA-N
Compound name
(6-methyl-3-pyridinyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

167.05171 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.058986 132.9
[M+Na]+ 190.040928 140.8
[M-H]- 166.044434 135.2
[M+NH4]+ 185.085533 152.0
[M+K]+ 206.014868 137.3
[M+H-H2O]+ 150.048970 126.3
[M+HCOO]- 212.049911 152.0
[M+CH3COO]- 226.065561 181.2
[M+Na-2H]- 188.026376 136.7
[M]+ 167.05116142 131.2
[M]- 167.05225858 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

No literature data available for this compound.

Patent stripe

patents stripe