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]+ 268.15434 162.1
[M+Na]+ 290.13628 165.9
[M-H]- 266.13978 165.3
[M+NH4]+ 285.18088 175.6
[M+K]+ 306.11022 166.1
[M+H-H2O]+ 250.14432 154.7
[M+HCOO]- 312.14526 179.4
[M+CH3COO]- 326.16091 197.5
[M+Na-2H]- 288.12173 168.5
[M]+ 267.14651 163.8
[M]- 267.14761 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.