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]+ 228.08013 150.4
[M+Na]+ 250.06207 158.2
[M-H]- 226.06557 152.4
[M+NH4]+ 245.10667 168.0
[M+K]+ 266.03601 156.0
[M+H-H2O]+ 210.07011 143.1
[M+HCOO]- 272.07105 164.6
[M+CH3COO]- 286.08670 182.0
[M+Na-2H]- 248.04752 148.2
[M]+ 227.07230 150.7
[M]- 227.07340 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.