CID 63767552

1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-amine

Structural Information

Molecular Formula
C11H14N2O4S
SMILES
C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC(C3)N
InChI
InChI=1S/C11H14N2O4S/c12-8-6-13(7-8)18(14,15)9-1-2-10-11(5-9)17-4-3-16-10/h1-2,5,8H,3-4,6-7,12H2
InChIKey
QXLPIDJCHJYKOC-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0674 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07468 152.8
[M+Na]+ 293.05662 158.8
[M+NH4]+ 288.10122 155.9
[M+K]+ 309.03056 155.8
[M-H]- 269.06012 154.5
[M+Na-2H]- 291.04207 154.1
[M]+ 270.06685 153.2
[M]- 270.06795 153.2
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.