CID 314179

98022-43-6

Structural Information

Molecular Formula
C3H5N3OS
SMILES
COC1=NSC(=N1)N
InChI
InChI=1S/C3H5N3OS/c1-7-3-5-2(4)8-6-3/h1H3,(H2,4,5,6)
InChIKey
OJCCUUWVUOCZAA-UHFFFAOYSA-N
Compound name
3-methoxy-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

131.01534 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02262 121.0
[M+Na]+ 154.00456 131.5
[M-H]- 130.00806 122.6
[M+NH4]+ 149.04916 142.5
[M+K]+ 169.97850 130.2
[M+H-H2O]+ 114.01260 114.7
[M+HCOO]- 176.01354 141.0
[M+CH3COO]- 190.02919 169.8
[M+Na-2H]- 151.99001 124.9
[M]+ 131.01479 122.7
[M]- 131.01589 122.7
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