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-methylpyridin-3-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

167.05171 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.05899 132.9
[M+Na]+ 190.04093 140.8
[M-H]- 166.04443 135.2
[M+NH4]+ 185.08553 152.0
[M+K]+ 206.01487 137.3
[M+H-H2O]+ 150.04897 126.3
[M+HCOO]- 212.04991 152.0
[M+CH3COO]- 226.06556 181.2
[M+Na-2H]- 188.02638 136.7
[M]+ 167.05116 131.2
[M]- 167.05226 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