CID 9167348

878218-20-3

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]+ 270.089156 160.8
[M+Na]+ 292.071098 167.0
[M-H]- 268.074604 167.1
[M+NH4]+ 287.115703 176.6
[M+K]+ 308.045038 166.5
[M+H-H2O]+ 252.079140 154.4
[M+HCOO]- 314.080081 175.9
[M+CH3COO]- 328.095731 200.4
[M+Na-2H]- 290.056546 166.8
[M]+ 269.08133142 165.2
[M]- 269.08242858 165.2
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.