CID 485045

Ethyl 2-(pyrrolidin-2-yl)-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CCOC(=O)C1=CSC(=N1)C2CCCN2
InChI
InChI=1S/C10H14N2O2S/c1-2-14-10(13)8-6-15-9(12-8)7-4-3-5-11-7/h6-7,11H,2-5H2,1H3
InChIKey
UKHLURZCGAUBCQ-UHFFFAOYSA-N
Compound name
ethyl 2-pyrrolidin-2-yl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

226.0776 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 151.5
[M+Na]+ 249.06682 158.8
[M-H]- 225.07032 154.6
[M+NH4]+ 244.11142 170.4
[M+K]+ 265.04076 156.4
[M+H-H2O]+ 209.07486 144.8
[M+HCOO]- 271.07580 166.6
[M+CH3COO]- 285.09145 182.1
[M+Na-2H]- 247.05227 149.0
[M]+ 226.07705 151.6
[M]- 226.07815 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe