CID 15639

1750-83-0

Structural Information

Molecular Formula
C15H23NO4
SMILES
COCCOCCCNCC1COC2=CC=CC=C2O1
InChI
InChI=1S/C15H23NO4/c1-17-9-10-18-8-4-7-16-11-13-12-19-14-5-2-3-6-15(14)20-13/h2-3,5-6,13,16H,4,7-12H2,1H3
InChIKey
ZYDFAKZGPHZIED-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16272 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.169996 165.5
[M+Na]+ 304.151938 169.6
[M-H]- 280.155444 169.9
[M+NH4]+ 299.196543 179.2
[M+K]+ 320.125878 169.9
[M+H-H2O]+ 264.159980 157.6
[M+HCOO]- 326.160921 185.0
[M+CH3COO]- 340.176571 202.0
[M+Na-2H]- 302.137386 173.1
[M]+ 281.16217142 170.0
[M]- 281.16326858 170.0
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.