CID 379225

101221-46-9

Structural Information

Molecular Formula
C13H19NO3
SMILES
CN(CCC1COC2=CC=CC=C2O1)CCO
InChI
InChI=1S/C13H19NO3/c1-14(8-9-15)7-6-11-10-16-12-4-2-3-5-13(12)17-11/h2-5,11,15H,6-10H2,1H3
InChIKey
RLTYCLLSHWGJIQ-UHFFFAOYSA-N
Compound name
2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 154.4
[M+Na]+ 260.12571 165.8
[M+NH4]+ 255.17031 162.6
[M+K]+ 276.09965 160.1
[M-H]- 236.12921 159.7
[M+Na-2H]- 258.11116 158.5
[M]+ 237.13594 157.4
[M]- 237.13704 157.4
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.