CID 122760

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

Structural Information

Molecular Formula
C2H4N4S
SMILES
C1(=NN=C(S1)N)N
InChI
InChI=1S/C2H4N4S/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)
InChIKey
DXVLLEIKCNQUQH-UHFFFAOYSA-N
Compound name
1,3,4-thiadiazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

605
Patents

116.01567 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.022946 116.7
[M+Na]+ 139.004888 126.9
[M-H]- 115.008394 117.9
[M+NH4]+ 134.049493 138.2
[M+K]+ 154.978828 124.8
[M+H-H2O]+ 99.012930 110.2
[M+HCOO]- 161.013871 137.1
[M+CH3COO]- 175.029521 169.0
[M+Na-2H]- 136.990336 120.7
[M]+ 116.01512142 114.9
[M]- 116.01621858 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