CID 575489

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

Structural Information

Molecular Formula
C5H9N3S
SMILES
CCCC1=NSC(=N1)N
InChI
InChI=1S/C5H9N3S/c1-2-3-4-7-5(6)9-8-4/h2-3H2,1H3,(H2,6,7,8)
InChIKey
FFNJNXAQRQAKMW-UHFFFAOYSA-N
Compound name
3-propyl-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

143.05171 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05899 126.6
[M+Na]+ 166.04093 136.4
[M-H]- 142.04443 127.9
[M+NH4]+ 161.08553 147.8
[M+K]+ 182.01487 134.2
[M+H-H2O]+ 126.04897 120.1
[M+HCOO]- 188.04991 145.8
[M+CH3COO]- 202.06556 173.8
[M+Na-2H]- 164.02638 129.5
[M]+ 143.05116 127.7
[M]- 143.05226 127.7
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

patents stripe