CID 3150982

461456-17-7

Structural Information

Molecular Formula
C14H17NO6S
SMILES
C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C14H17NO6S/c16-14(17)10-3-5-15(6-4-10)22(18,19)11-1-2-12-13(9-11)21-8-7-20-12/h1-2,9-10H,3-8H2,(H,16,17)
InChIKey
FIDZPYRIDZVQFP-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.07767 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08495 168.1
[M+Na]+ 350.06689 172.8
[M-H]- 326.07039 173.1
[M+NH4]+ 345.11149 178.0
[M+K]+ 366.04083 172.4
[M+H-H2O]+ 310.07493 161.0
[M+HCOO]- 372.07587 175.0
[M+CH3COO]- 386.09152 200.5
[M+Na-2H]- 348.05234 172.4
[M]+ 327.07712 167.3
[M]- 327.07822 167.3
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.