CID 132327652

2126178-33-2

Structural Information

Molecular Formula
C8H10N2O4S
SMILES
CCOC(=O)C1=NN=C(S1)C(=O)OCC
InChI
InChI=1S/C8H10N2O4S/c1-3-13-7(11)5-9-10-6(15-5)8(12)14-4-2/h3-4H2,1-2H3
InChIKey
NWBOXEOCFYVLPW-UHFFFAOYSA-N
Compound name
diethyl 1,3,4-thiadiazole-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.03613 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04341 148.0
[M+Na]+ 253.02535 156.8
[M-H]- 229.02885 149.7
[M+NH4]+ 248.06995 165.8
[M+K]+ 268.99929 156.1
[M+H-H2O]+ 213.03339 141.2
[M+HCOO]- 275.03433 165.2
[M+CH3COO]- 289.04998 185.4
[M+Na-2H]- 251.01080 148.2
[M]+ 230.03558 154.9
[M]- 230.03668 154.9
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.