CID 4352460

4-hydroxy-1-(4-methoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H15NO6S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)O
InChI
InChI=1S/C12H15NO6S/c1-19-9-2-4-10(5-3-9)20(17,18)13-7-8(14)6-11(13)12(15)16/h2-5,8,11,14H,6-7H2,1H3,(H,15,16)
InChIKey
YBWUYYVFHIGKPL-UHFFFAOYSA-N
Compound name
4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.062 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06928 164.4
[M+Na]+ 324.05122 171.6
[M-H]- 300.05472 167.6
[M+NH4]+ 319.09582 178.9
[M+K]+ 340.02516 168.9
[M+H-H2O]+ 284.05926 158.6
[M+HCOO]- 346.06020 177.1
[M+CH3COO]- 360.07585 193.3
[M+Na-2H]- 322.03667 164.1
[M]+ 301.06145 166.5
[M]- 301.06255 166.5
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.