CID 13937

Brn 1433692

Structural Information

Molecular Formula
C14H21NO4
SMILES
COCCCNCC(C1COC2=CC=CC=C2O1)O
InChI
InChI=1S/C14H21NO4/c1-17-8-4-7-15-9-11(16)14-10-18-12-5-2-3-6-13(12)19-14/h2-3,5-6,11,14-16H,4,7-10H2,1H3
InChIKey
LBKOWSLAHIUMHT-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methoxypropylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 162.1
[M+Na]+ 290.136278 165.9
[M-H]- 266.139784 165.3
[M+NH4]+ 285.180883 175.6
[M+K]+ 306.110218 166.1
[M+H-H2O]+ 250.144320 154.7
[M+HCOO]- 312.145261 179.4
[M+CH3COO]- 326.160911 197.5
[M+Na-2H]- 288.121726 168.5
[M]+ 267.14651142 163.8
[M]- 267.14760858 163.8
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.