CID 575394

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

Structural Information

Molecular Formula
C5H9N3S
SMILES
CCCC1=NN=C(S1)N
InChI
InChI=1S/C5H9N3S/c1-2-3-4-7-8-5(6)9-4/h2-3H2,1H3,(H2,6,8)
InChIKey
NLQURINLKRAGIF-UHFFFAOYSA-N
Compound name
5-propyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

113
Patents

143.05171 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe