CID 14953479

5-ethoxy-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C4H7N3OS
SMILES
CCOC1=NN=C(S1)N
InChI
InChI=1S/C4H7N3OS/c1-2-8-4-7-6-3(5)9-4/h2H2,1H3,(H2,5,6)
InChIKey
UNWILELBTFFRJV-UHFFFAOYSA-N
Compound name
5-ethoxy-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

145.03099 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03827 127.0
[M+Na]+ 168.02021 137.2
[M+NH4]+ 163.06481 135.1
[M+K]+ 183.99415 132.3
[M-H]- 144.02371 127.7
[M+Na-2H]- 166.00566 131.6
[M]+ 145.03044 128.8
[M]- 145.03154 128.8
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