CID 146108133

2411275-39-1

Structural Information

Molecular Formula
C10H15N3O2S
SMILES
CCOC(=O)C1=NN=C(S1)C2CCNCC2
InChI
InChI=1S/C10H15N3O2S/c1-2-15-10(14)9-13-12-8(16-9)7-3-5-11-6-4-7/h7,11H,2-6H2,1H3
InChIKey
TTXMCVNMAXYBSK-UHFFFAOYSA-N
Compound name
ethyl 5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0885 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09578 153.7
[M+Na]+ 264.07772 160.0
[M-H]- 240.08122 154.7
[M+NH4]+ 259.12232 168.7
[M+K]+ 280.05166 156.9
[M+H-H2O]+ 224.08576 145.7
[M+HCOO]- 286.08670 165.2
[M+CH3COO]- 300.10235 184.9
[M+Na-2H]- 262.06317 152.8
[M]+ 241.08795 151.9
[M]- 241.08905 151.9
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.