CID 161810

1,2,4-thiadiazole-3,5-diamine

Structural Information

Molecular Formula
C2H4N4S
SMILES
C1(=NSC(=N1)N)N
InChI
InChI=1S/C2H4N4S/c3-1-5-2(4)7-6-1/h(H4,3,4,5,6)
InChIKey
SLGAYYOOVPWBEU-UHFFFAOYSA-N
Compound name
1,2,4-thiadiazole-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

45
Patents

116.01567 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.02295 117.6
[M+Na]+ 139.00489 127.1
[M+NH4]+ 134.04949 125.9
[M+K]+ 154.97883 122.9
[M-H]- 115.00839 119.0
[M+Na-2H]- 136.99034 122.6
[M]+ 116.01512 119.4
[M]- 116.01622 119.4
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