CID 16226937

2-chloro-n-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide

Structural Information

Molecular Formula
C14H18ClNO3
SMILES
CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)CCl
InChI
InChI=1S/C14H18ClNO3/c1-9(2)14(16-13(17)8-15)10-3-4-11-12(7-10)19-6-5-18-11/h3-4,7,9,14H,5-6,8H2,1-2H3,(H,16,17)
InChIKey
FGDQPBZQAFSOMK-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.09753 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.104806 165.9
[M+Na]+ 306.086748 170.9
[M-H]- 282.090254 170.7
[M+NH4]+ 301.131353 180.4
[M+K]+ 322.060688 169.9
[M+H-H2O]+ 266.094790 159.8
[M+HCOO]- 328.095731 178.2
[M+CH3COO]- 342.111381 201.9
[M+Na-2H]- 304.072196 169.7
[M]+ 283.09698142 168.2
[M]- 283.09807858 168.2
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.