CID 18777326

Methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate

Structural Information

Molecular Formula
C6H9N3O2S2
SMILES
CC(C(=O)OC)SC1=NN=C(S1)N
InChI
InChI=1S/C6H9N3O2S2/c1-3(4(10)11-2)12-6-9-8-5(7)13-6/h3H,1-2H3,(H2,7,8)
InChIKey
CSAMWAYQZUBLSD-UHFFFAOYSA-N
Compound name
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 143.4
[M+Na]+ 242.00285 152.1
[M-H]- 218.00635 144.4
[M+NH4]+ 237.04745 161.3
[M+K]+ 257.97679 149.4
[M+H-H2O]+ 202.01089 136.9
[M+HCOO]- 264.01183 155.0
[M+CH3COO]- 278.02748 185.9
[M+Na-2H]- 239.98830 141.9
[M]+ 219.01308 146.5
[M]- 219.01418 146.5
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

No patent data available for this compound.