CID 26149

13627-90-2

Structural Information

Molecular Formula
C15H23NO4
SMILES
CC1C(OC2=CC=CC=C2O1)C(CNCCCOC)O
InChI
InChI=1S/C15H23NO4/c1-11-15(12(17)10-16-8-5-9-18-2)20-14-7-4-3-6-13(14)19-11/h3-4,6-7,11-12,15-17H,5,8-10H2,1-2H3
InChIKey
DSMKNJYPUQPSEM-UHFFFAOYSA-N
Compound name
2-(3-methoxypropylamino)-1-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
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 166.8
[M+Na]+ 304.15194 177.0
[M+NH4]+ 299.19654 173.6
[M+K]+ 320.12588 171.9
[M-H]- 280.15544 171.0
[M+Na-2H]- 302.13739 169.1
[M]+ 281.16217 169.2
[M]- 281.16327 169.2
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.