CID 26146

Brn 1386897

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC(CNCCOC)(C1COC2=CC=CC=C2O1)O
InChI
InChI=1S/C14H21NO4/c1-14(16,10-15-7-8-17-2)13-9-18-11-5-3-4-6-12(11)19-13/h3-6,13,15-16H,7-10H2,1-2H3
InChIKey
OZXUIBJLIXNVGO-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methoxyethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 161.6
[M+Na]+ 290.13628 171.7
[M+NH4]+ 285.18088 168.6
[M+K]+ 306.11022 167.2
[M-H]- 266.13978 165.4
[M+Na-2H]- 288.12173 164.8
[M]+ 267.14651 164.0
[M]- 267.14761 164.0
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.