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]+ 244.07504 153.6
[M+Na]+ 266.05698 160.2
[M-H]- 242.06048 154.6
[M+NH4]+ 261.10158 170.2
[M+K]+ 282.03092 158.7
[M+H-H2O]+ 226.06502 145.9
[M+HCOO]- 288.06596 171.2
[M+CH3COO]- 302.08161 190.0
[M+Na-2H]- 264.04243 154.4
[M]+ 243.06721 158.2
[M]- 243.06831 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.