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 147.8
[M+Na]+ 293.05662 152.7
[M-H]- 269.06012 153.8
[M+NH4]+ 288.10122 154.3
[M+K]+ 309.03056 155.8
[M+H-H2O]+ 253.06466 134.7
[M+HCOO]- 315.06560 159.0
[M+CH3COO]- 329.08125 197.6
[M+Na-2H]- 291.04207 153.8
[M]+ 270.06685 156.6
[M]- 270.06795 156.6
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.