CID 3047408

1,3,4-thiadiazolium, 2,5-diamino-3-methyl-, iodide

Structural Information

Molecular Formula
C3H6N4S
SMILES
CN1C(=N)SC(=N1)N
InChI
InChI=1S/C3H6N4S/c1-7-3(5)8-2(4)6-7/h5H,1H3,(H2,4,6)
InChIKey
YGEJIFIBGBVKOK-UHFFFAOYSA-N
Compound name
5-imino-4-methyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.03131 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.038586 121.3
[M+Na]+ 153.020528 132.2
[M-H]- 129.024034 123.3
[M+NH4]+ 148.065133 142.8
[M+K]+ 168.994468 129.6
[M+H-H2O]+ 113.028570 115.0
[M+HCOO]- 175.029511 142.2
[M+CH3COO]- 189.045161 173.0
[M+Na-2H]- 151.005976 125.0
[M]+ 130.03076142 120.6
[M]- 130.03185858 120.6
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.