CID 3065347

Succinamic acid, n-(1,3,4-thiadiazol-2-yl)-, propyl ester

Structural Information

Molecular Formula
C9H13N3O3S
SMILES
CCCOC(=O)CCC(=O)NC1=NN=CS1
InChI
InChI=1S/C9H13N3O3S/c1-2-5-15-8(14)4-3-7(13)11-9-12-10-6-16-9/h6H,2-5H2,1H3,(H,11,12,13)
InChIKey
NBAZXRJGYUBEIE-UHFFFAOYSA-N
Compound name
propyl 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.06776 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.075036 153.6
[M+Na]+ 266.056978 160.2
[M-H]- 242.060484 154.6
[M+NH4]+ 261.101583 170.2
[M+K]+ 282.030918 158.7
[M+H-H2O]+ 226.065020 145.9
[M+HCOO]- 288.065961 171.2
[M+CH3COO]- 302.081611 190.0
[M+Na-2H]- 264.042426 154.4
[M]+ 243.06721142 158.2
[M]- 243.06830858 158.2
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.