CID 201546

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

Structural Information

Molecular Formula
C13H19NO3
SMILES
CCC1=C(C2=C(C=C1)OCCO2)OCCNC
InChI
InChI=1S/C13H19NO3/c1-3-10-4-5-11-13(17-9-8-15-11)12(10)16-7-6-14-2/h4-5,14H,3,6-9H2,1-2H3
InChIKey
ZDYOIUOKRGNRKO-UHFFFAOYSA-N
Compound name
2-[(6-ethyl-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

237.13649 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 154.1
[M+Na]+ 260.125708 160.3
[M-H]- 236.129214 159.4
[M+NH4]+ 255.170313 170.2
[M+K]+ 276.099648 160.4
[M+H-H2O]+ 220.133750 147.1
[M+HCOO]- 282.134691 174.1
[M+CH3COO]- 296.150341 195.0
[M+Na-2H]- 258.111156 162.0
[M]+ 237.13594142 157.0
[M]- 237.13703858 157.0
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.