CID 44551

2-(5-amino-1,3,4-thiadiazol-2-ylthio)ethylamine hydrochloride

Structural Information

Molecular Formula
C4H8N4S2
SMILES
C(CSC1=NN=C(S1)N)N
InChI
InChI=1S/C4H8N4S2/c5-1-2-9-4-8-7-3(6)10-4/h1-2,5H2,(H2,6,7)
InChIKey
XQWGICLKVVVONM-UHFFFAOYSA-N
Compound name
5-(2-aminoethylsulfanyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

176.01904 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02632 129.5
[M+Na]+ 199.00826 139.1
[M-H]- 175.01176 130.0
[M+NH4]+ 194.05286 148.8
[M+K]+ 214.98220 134.8
[M+H-H2O]+ 159.01630 122.9
[M+HCOO]- 221.01724 143.5
[M+CH3COO]- 235.03289 180.1
[M+Na-2H]- 196.99371 130.4
[M]+ 176.01849 129.3
[M]- 176.01959 129.3
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