CID 79616034

3-(1-methoxyethyl)-1,2,4-thiadiazol-5-amine

Structural Information

Molecular Formula
C5H9N3OS
SMILES
CC(C1=NSC(=N1)N)OC
InChI
InChI=1S/C5H9N3OS/c1-3(9-2)4-7-5(6)10-8-4/h3H,1-2H3,(H2,6,7,8)
InChIKey
MWIYSNQRZYVAFA-UHFFFAOYSA-N
Compound name
3-(1-methoxyethyl)-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04663 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.053906 130.6
[M+Na]+ 182.035848 139.8
[M-H]- 158.039354 131.9
[M+NH4]+ 177.080453 150.9
[M+K]+ 198.009788 138.6
[M+H-H2O]+ 142.043890 123.9
[M+HCOO]- 204.044831 148.9
[M+CH3COO]- 218.060481 176.7
[M+Na-2H]- 180.021296 132.4
[M]+ 159.04608142 132.4
[M]- 159.04717858 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.