CID 53219

Ethylamine, 2-((6-allyl-7-chloro-1,4-benzodioxan-5-yl)oxy)-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C14H18ClNO3
SMILES
CNCCOC1=C2C(=CC(=C1CC=C)Cl)OCCO2
InChI
InChI=1S/C14H18ClNO3/c1-3-4-10-11(15)9-12-14(19-8-7-17-12)13(10)18-6-5-16-2/h3,9,16H,1,4-8H2,2H3
InChIKey
MXMHLJBRFRMYIK-UHFFFAOYSA-N
Compound name
2-[(7-chloro-6-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.09753 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10481 163.4
[M+Na]+ 306.08675 176.5
[M+NH4]+ 301.13135 171.5
[M+K]+ 322.06069 169.2
[M-H]- 282.09025 168.7
[M+Na-2H]- 304.07220 167.2
[M]+ 283.09698 167.0
[M]- 283.09808 167.0
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.