CID 3034216

4-methyl-4h-1,2,4-triazole-3,5-dithiol

Structural Information

Molecular Formula
C3H5N3S2
SMILES
CN1C(=S)NNC1=S
InChI
InChI=1S/C3H5N3S2/c1-6-2(7)4-5-3(6)8/h1H3,(H,4,7)(H,5,8)
InChIKey
KNCMHNISYLPZBZ-UHFFFAOYSA-N
Compound name
4-methyl-1,2,4-triazolidine-3,5-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

146.9925 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.999776 123.8
[M+Na]+ 169.981718 136.3
[M-H]- 145.985224 122.1
[M+NH4]+ 165.026323 143.1
[M+K]+ 185.955658 130.4
[M+H-H2O]+ 129.989760 118.8
[M+HCOO]- 191.990701 133.6
[M+CH3COO]- 206.006351 136.7
[M+Na-2H]- 167.967166 123.4
[M]+ 146.99195142 122.6
[M]- 146.99304858 122.6
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