CID 56971989

1820575-20-9

Structural Information

Molecular Formula
C14H19NO4S
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)C(=O)O)C2=CSC=C2
InChI
InChI=1S/C14H19NO4S/c1-14(2,3)19-13(18)15-6-10(9-4-5-20-8-9)11(7-15)12(16)17/h4-5,8,10-11H,6-7H2,1-3H3,(H,16,17)/t10-,11+/m1/s1
InChIKey
SMFRPIXMKBJZBM-MNOVXSKESA-N
Compound name
(3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-thiophen-3-ylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1035 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11078 170.2
[M+Na]+ 320.09272 176.7
[M+NH4]+ 315.13732 175.9
[M+K]+ 336.06666 175.7
[M-H]- 296.09622 169.4
[M+Na-2H]- 318.07817 171.5
[M]+ 297.10295 170.9
[M]- 297.10405 170.9
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.