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]+ 270.08916 160.8
[M+Na]+ 292.07110 167.0
[M-H]- 268.07460 167.1
[M+NH4]+ 287.11570 176.6
[M+K]+ 308.04504 166.5
[M+H-H2O]+ 252.07914 154.4
[M+HCOO]- 314.08008 175.9
[M+CH3COO]- 328.09573 200.4
[M+Na-2H]- 290.05655 166.8
[M]+ 269.08133 165.2
[M]- 269.08243 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.