CID 1549229

16992-40-8

Structural Information

Molecular Formula
C5H9N3OS
SMILES
CC1(C(=O)NC(=S)NN1)C
InChI
InChI=1S/C5H9N3OS/c1-5(2)3(9)6-4(10)7-8-5/h8H,1-2H3,(H2,6,7,9,10)
InChIKey
QUNUNCZHJTZYMB-UHFFFAOYSA-N
Compound name
6,6-dimethyl-3-sulfanylidene-1,2,4-triazinan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

159.04663 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05391 134.7
[M+Na]+ 182.03585 144.1
[M+NH4]+ 177.08045 142.3
[M+K]+ 198.00979 136.2
[M-H]- 158.03935 132.7
[M+Na-2H]- 180.02130 137.9
[M]+ 159.04608 135.6
[M]- 159.04718 135.6
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