CID 351914

5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C5H7N3S2
SMILES
C=CCSC1=NN=C(S1)N
InChI
InChI=1S/C5H7N3S2/c1-2-3-9-5-8-7-4(6)10-5/h2H,1,3H2,(H2,6,7)
InChIKey
KKGCJNIVVSSVRG-UHFFFAOYSA-N
Compound name
5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

173.00813 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.01541 130.9
[M+Na]+ 195.99735 141.3
[M-H]- 172.00085 132.0
[M+NH4]+ 191.04195 151.0
[M+K]+ 211.97129 137.0
[M+H-H2O]+ 156.00539 124.7
[M+HCOO]- 218.00633 144.5
[M+CH3COO]- 232.02198 177.9
[M+Na-2H]- 193.98280 131.3
[M]+ 173.00758 132.1
[M]- 173.00868 132.1
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