CID 3042290

59395-31-2

Structural Information

Molecular Formula
C10H13N3S
SMILES
CC1(NC(=S)N(N1)C)C2=CC=CC=C2
InChI
InChI=1S/C10H13N3S/c1-10(8-6-4-3-5-7-8)11-9(14)13(2)12-10/h3-7,12H,1-2H3,(H,11,14)
InChIKey
TYCXOQBWCRCJMW-UHFFFAOYSA-N
Compound name
2,5-dimethyl-5-phenyl-1,2,4-triazolidine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08302 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09030 144.7
[M+Na]+ 230.07224 154.0
[M-H]- 206.07574 145.3
[M+NH4]+ 225.11684 163.0
[M+K]+ 246.04618 148.5
[M+H-H2O]+ 190.08028 138.2
[M+HCOO]- 252.08122 156.8
[M+CH3COO]- 266.09687 156.1
[M+Na-2H]- 228.05769 145.9
[M]+ 207.08247 141.2
[M]- 207.08357 141.2
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

No patent data available for this compound.