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]+ 330.100596 170.8
[M+Na]+ 352.082538 175.3
[M-H]- 328.086044 174.1
[M+NH4]+ 347.127143 182.1
[M+K]+ 368.056478 174.5
[M+H-H2O]+ 312.090580 164.1
[M+HCOO]- 374.091521 182.7
[M+CH3COO]- 388.107171 204.1
[M+Na-2H]- 350.067986 176.8
[M]+ 329.09277142 175.0
[M]- 329.09386858 175.0
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.