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 170.8
[M+Na]+ 352.08254 175.3
[M-H]- 328.08604 174.1
[M+NH4]+ 347.12714 182.1
[M+K]+ 368.05648 174.5
[M+H-H2O]+ 312.09058 164.1
[M+HCOO]- 374.09152 182.7
[M+CH3COO]- 388.10717 204.1
[M+Na-2H]- 350.06799 176.8
[M]+ 329.09277 175.0
[M]- 329.09387 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.