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]+ 268.154336 161.2
[M+Na]+ 290.136278 165.8
[M-H]- 266.139784 164.8
[M+NH4]+ 285.180883 175.0
[M+K]+ 306.110218 166.0
[M+H-H2O]+ 250.144320 154.6
[M+HCOO]- 312.145261 178.0
[M+CH3COO]- 326.160911 197.1
[M+Na-2H]- 288.121726 170.0
[M]+ 267.14651142 163.2
[M]- 267.14760858 163.2
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.