CID 26141

13627-78-6

Structural Information

Molecular Formula
C13H19NO4
SMILES
COCCNCC(C1COC2=CC=CC=C2O1)O
InChI
InChI=1S/C13H19NO4/c1-16-7-6-14-8-10(15)13-9-17-11-4-2-3-5-12(11)18-13/h2-5,10,13-15H,6-9H2,1H3
InChIKey
AQRYCIIELSPZGE-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.138686 157.4
[M+Na]+ 276.120628 161.7
[M-H]- 252.124134 160.9
[M+NH4]+ 271.165233 171.5
[M+K]+ 292.094568 162.1
[M+H-H2O]+ 236.128670 150.3
[M+HCOO]- 298.129611 175.0
[M+CH3COO]- 312.145261 194.5
[M+Na-2H]- 274.106076 164.4
[M]+ 253.13086142 158.8
[M]- 253.13195858 158.8
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.