CID 685983

(6-methylpyridin-2-yl)thiourea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

167.05171 Da
Monoisotopic Mass

0.8
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

literature stripe

Patent stripe

patents stripe