CID 146082198

2408958-70-1

Structural Information

Molecular Formula
C8H11N3O2S
SMILES
CCOC(=O)C1=NN=C(S1)C2CNC2
InChI
InChI=1S/C8H11N3O2S/c1-2-13-8(12)7-11-10-6(14-7)5-3-9-4-5/h5,9H,2-4H2,1H3
InChIKey
XDFHHDOXTAVDKK-UHFFFAOYSA-N
Compound name
ethyl 5-(azetidin-3-yl)-1,3,4-thiadiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0572 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.064476 141.0
[M+Na]+ 236.046418 147.0
[M-H]- 212.049924 142.3
[M+NH4]+ 231.091023 150.7
[M+K]+ 252.020358 147.7
[M+H-H2O]+ 196.054460 127.8
[M+HCOO]- 258.055401 153.9
[M+CH3COO]- 272.071051 183.8
[M+Na-2H]- 234.031866 140.9
[M]+ 213.05665142 150.5
[M]- 213.05774858 150.5
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.