CID 2856131

304694-75-5

Structural Information

Molecular Formula
C14H19NO6S
SMILES
C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCCCC(=O)O
InChI
InChI=1S/C14H19NO6S/c16-14(17)4-2-1-3-7-15-22(18,19)11-5-6-12-13(10-11)21-9-8-20-12/h5-6,10,15H,1-4,7-9H2,(H,16,17)
InChIKey
FPEVGZPSPNACMN-UHFFFAOYSA-N
Compound name
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

329.09332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10060 172.1
[M+Na]+ 352.08254 180.2
[M+NH4]+ 347.12714 177.1
[M+K]+ 368.05648 175.3
[M-H]- 328.08604 173.9
[M+Na-2H]- 350.06799 173.3
[M]+ 329.09277 173.9
[M]- 329.09387 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.