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]+ 282.17000 165.5
[M+Na]+ 304.15194 169.6
[M-H]- 280.15544 169.9
[M+NH4]+ 299.19654 179.2
[M+K]+ 320.12588 169.9
[M+H-H2O]+ 264.15998 157.6
[M+HCOO]- 326.16092 185.0
[M+CH3COO]- 340.17657 202.0
[M+Na-2H]- 302.13739 173.1
[M]+ 281.16217 170.0
[M]- 281.16327 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.