CID 254565

[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

Structural Information

Molecular Formula
C3H3N5S
SMILES
C1=NN=C2N1N=C(S2)N
InChI
InChI=1S/C3H3N5S/c4-2-7-8-1-5-6-3(8)9-2/h1H,(H2,4,7)
InChIKey
RZLGDPOWDCAEAJ-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

141.01091 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.01819 121.2
[M+Na]+ 164.00013 134.9
[M-H]- 140.00363 122.2
[M+NH4]+ 159.04473 142.9
[M+K]+ 179.97407 132.9
[M+H-H2O]+ 124.00817 114.6
[M+HCOO]- 186.00911 141.1
[M+CH3COO]- 200.02476 136.3
[M+Na-2H]- 161.98558 126.5
[M]+ 141.01036 124.4
[M]- 141.01146 124.4
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