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

441
Patents

116.01567 Da
Monoisotopic Mass

-0.3
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