CID 55287031

3-ethyl-n-methyl-1,2,4-thiadiazol-5-amine

Structural Information

Molecular Formula
C5H9N3S
SMILES
CCC1=NSC(=N1)NC
InChI
InChI=1S/C5H9N3S/c1-3-4-7-5(6-2)9-8-4/h3H2,1-2H3,(H,6,7,8)
InChIKey
PDBNOTVWMAXMCD-UHFFFAOYSA-N
Compound name
3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.05171 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05899 126.4
[M+Na]+ 166.04093 136.2
[M-H]- 142.04443 128.2
[M+NH4]+ 161.08553 147.8
[M+K]+ 182.01487 134.4
[M+H-H2O]+ 126.04897 119.8
[M+HCOO]- 188.04991 146.2
[M+CH3COO]- 202.06556 174.5
[M+Na-2H]- 164.02638 130.3
[M]+ 143.05116 128.5
[M]- 143.05226 128.5
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.