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 165.3
[M+Na]+ 306.08675 173.0
[M-H]- 282.09025 170.6
[M+NH4]+ 301.13135 180.6
[M+K]+ 322.06069 170.5
[M+H-H2O]+ 266.09479 159.2
[M+HCOO]- 328.09573 180.5
[M+CH3COO]- 342.11138 202.2
[M+Na-2H]- 304.07220 171.3
[M]+ 283.09698 170.3
[M]- 283.09808 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.