CID 3047408

63503-57-1

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]+ 131.03859 121.3
[M+Na]+ 153.02053 132.2
[M-H]- 129.02403 123.3
[M+NH4]+ 148.06513 142.8
[M+K]+ 168.99447 129.6
[M+H-H2O]+ 113.02857 115.0
[M+HCOO]- 175.02951 142.2
[M+CH3COO]- 189.04516 173.0
[M+Na-2H]- 151.00598 125.0
[M]+ 130.03076 120.6
[M]- 130.03186 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.