CID 58332

Ethylamine, 2-((8-allyl-6-chloro-1,4-benzodioxan-5-yl)oxy)-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C14H18ClNO3
SMILES
CNCCOC1=C(C=C(C2=C1OCCO2)CC=C)Cl
InChI
InChI=1S/C14H18ClNO3/c1-3-4-10-9-11(15)13(17-6-5-16-2)14-12(10)18-7-8-19-14/h3,9,16H,1,4-8H2,2H3
InChIKey
UHUZRBGESDLHEU-UHFFFAOYSA-N
Compound name
2-[(6-chloro-8-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]+ 284.104806 165.3
[M+Na]+ 306.086748 173.0
[M-H]- 282.090254 170.6
[M+NH4]+ 301.131353 180.6
[M+K]+ 322.060688 170.5
[M+H-H2O]+ 266.094790 159.2
[M+HCOO]- 328.095731 180.5
[M+CH3COO]- 342.111381 202.2
[M+Na-2H]- 304.072196 171.3
[M]+ 283.09698142 170.3
[M]- 283.09807858 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.