CID 137928071

2253632-65-2

Structural Information

Molecular Formula
C14H20N2O4S
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CC2=NC(=CS2)C(=O)O
InChI
InChI=1S/C14H20N2O4S/c1-14(2,3)20-13(19)16-5-4-9(7-16)6-11-15-10(8-21-11)12(17)18/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKey
XAEMQFOAZTZYTB-UHFFFAOYSA-N
Compound name
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.11438 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12166 173.8
[M+Na]+ 335.10360 180.0
[M+NH4]+ 330.14820 178.6
[M+K]+ 351.07754 179.4
[M-H]- 311.10710 172.2
[M+Na-2H]- 333.08905 174.6
[M]+ 312.11383 174.2
[M]- 312.11493 174.2
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.