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 154.6
[M+Na]+ 260.12571 159.5
[M-H]- 236.12921 159.5
[M+NH4]+ 255.17031 170.2
[M+K]+ 276.09965 160.2
[M+H-H2O]+ 220.13375 147.5
[M+HCOO]- 282.13469 173.6
[M+CH3COO]- 296.15034 194.7
[M+Na-2H]- 258.11116 162.0
[M]+ 237.13594 156.4
[M]- 237.13704 156.4
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.