CID 39869643

1087784-28-8

Structural Information

Molecular Formula
C13H17NO7S
SMILES
CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCC(CC2)C(=O)O
InChI
InChI=1S/C13H17NO7S/c1-2-20-13(17)10-3-4-11(21-10)22(18,19)14-7-5-9(6-8-14)12(15)16/h3-4,9H,2,5-8H2,1H3,(H,15,16)
InChIKey
PPRPMPFQBMZZFG-UHFFFAOYSA-N
Compound name
1-(5-ethoxycarbonylfuran-2-yl)sulfonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.07257 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07985 171.4
[M+Na]+ 354.06179 178.0
[M+NH4]+ 349.10639 175.0
[M+K]+ 370.03573 177.1
[M-H]- 330.06529 170.5
[M+Na-2H]- 352.04724 172.0
[M]+ 331.07202 171.9
[M]- 331.07312 171.9
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.