CID 351912

Ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate

Structural Information

Molecular Formula
C6H9N3O2S2
SMILES
CCOC(=O)CSC1=NN=C(S1)N
InChI
InChI=1S/C6H9N3O2S2/c1-2-11-4(10)3-12-6-9-8-5(7)13-6/h2-3H2,1H3,(H2,7,8)
InChIKey
IYLGYUIQSDVGCP-UHFFFAOYSA-N
Compound name
ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

61
Patents

219.01363 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.02091 142.8
[M+Na]+ 242.00285 151.9
[M-H]- 218.00635 143.7
[M+NH4]+ 237.04745 160.8
[M+K]+ 257.97679 148.6
[M+H-H2O]+ 202.01089 136.2
[M+HCOO]- 264.01183 155.5
[M+CH3COO]- 278.02748 185.0
[M+Na-2H]- 239.98830 142.2
[M]+ 219.01308 146.4
[M]- 219.01418 146.4
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