CID 13608509

49600-35-3

Structural Information

Molecular Formula
C8H11N3S
SMILES
CC1=CC(=NC(=C1)NC(=S)N)C
InChI
InChI=1S/C8H11N3S/c1-5-3-6(2)10-7(4-5)11-8(9)12/h3-4H,1-2H3,(H3,9,10,11,12)
InChIKey
ZXQTZSMIBLLDGW-UHFFFAOYSA-N
Compound name
(4,6-dimethyl-2-pyridinyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

181.06737 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.074646 137.4
[M+Na]+ 204.056588 145.8
[M-H]- 180.060094 139.9
[M+NH4]+ 199.101193 156.3
[M+K]+ 220.030528 142.0
[M+H-H2O]+ 164.064630 130.9
[M+HCOO]- 226.065571 156.1
[M+CH3COO]- 240.081221 185.4
[M+Na-2H]- 202.042036 140.0
[M]+ 181.06682142 136.4
[M]- 181.06791858 136.4
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