CID 9167348

2-chloro-n-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-n-ethylacetamide

Structural Information

Molecular Formula
C13H16ClNO3
SMILES
CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CCl
InChI
InChI=1S/C13H16ClNO3/c1-2-15(13(16)8-14)9-10-3-4-11-12(7-10)18-6-5-17-11/h3-4,7H,2,5-6,8-9H2,1H3
InChIKey
UQSCBSZZNMLGLP-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08188 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08916 158.9
[M+Na]+ 292.07110 171.4
[M+NH4]+ 287.11570 167.4
[M+K]+ 308.04504 165.2
[M-H]- 268.07460 164.3
[M+Na-2H]- 290.05655 163.4
[M]+ 269.08133 162.5
[M]- 269.08243 162.5
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.