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

59
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 116.7
[M+Na]+ 139.00489 126.9
[M-H]- 115.00839 117.9
[M+NH4]+ 134.04949 138.2
[M+K]+ 154.97883 124.8
[M+H-H2O]+ 99.012930 110.2
[M+HCOO]- 161.01387 137.1
[M+CH3COO]- 175.02952 169.0
[M+Na-2H]- 136.99034 120.7
[M]+ 116.01512 114.9
[M]- 116.01622 114.9
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