CID 2063261

53918-05-1

Structural Information

Molecular Formula
C5H5N3S2
SMILES
C#CCSC1=NN=C(S1)N
InChI
InChI=1S/C5H5N3S2/c1-2-3-9-5-8-7-4(6)10-5/h1H,3H2,(H2,6,7)
InChIKey
SJSZAQLZKIYESE-UHFFFAOYSA-N
Compound name
5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

170.9925 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.99978 135.3
[M+Na]+ 193.98172 147.4
[M-H]- 169.98522 135.8
[M+NH4]+ 189.02632 153.3
[M+K]+ 209.95566 144.2
[M+H-H2O]+ 153.98976 123.0
[M+HCOO]- 215.99070 143.6
[M+CH3COO]- 230.00635 146.7
[M+Na-2H]- 191.96717 135.0
[M]+ 170.99195 131.3
[M]- 170.99305 131.3
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