CID 146082163

2408969-49-1

Structural Information

Molecular Formula
C9H13N3O2S
SMILES
CCOC(=O)C1=NN=C(S1)C2CCNC2
InChI
InChI=1S/C9H13N3O2S/c1-2-14-9(13)8-12-11-7(15-8)6-3-4-10-5-6/h6,10H,2-5H2,1H3
InChIKey
VRUCTAJVEQTNBK-UHFFFAOYSA-N
Compound name
ethyl 5-pyrrolidin-3-yl-1,3,4-thiadiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.07285 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.080126 150.4
[M+Na]+ 250.062068 158.2
[M-H]- 226.065574 152.4
[M+NH4]+ 245.106673 168.0
[M+K]+ 266.036008 156.0
[M+H-H2O]+ 210.070110 143.1
[M+HCOO]- 272.071051 164.6
[M+CH3COO]- 286.086701 182.0
[M+Na-2H]- 248.047516 148.2
[M]+ 227.07230142 150.7
[M]- 227.07339858 150.7
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.