CID 21390

5-(methylsulfanyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C3H5N3S2
SMILES
CSC1=NN=C(S1)N
InChI
InChI=1S/C3H5N3S2/c1-7-3-6-5-2(4)8-3/h1H3,(H2,4,5)
InChIKey
PCLAZAJARAIGGD-UHFFFAOYSA-N
Compound name
5-methylsulfanyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

379
Patents

146.9925 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.99978 122.8
[M+Na]+ 169.98172 133.8
[M-H]- 145.98522 124.2
[M+NH4]+ 165.02632 144.0
[M+K]+ 185.95566 130.6
[M+H-H2O]+ 129.98976 117.0
[M+HCOO]- 191.99070 136.9
[M+CH3COO]- 206.00635 172.9
[M+Na-2H]- 167.96717 124.2
[M]+ 146.99195 124.1
[M]- 146.99305 124.1
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