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]+ 238.143766 154.6
[M+Na]+ 260.125708 159.5
[M-H]- 236.129214 159.5
[M+NH4]+ 255.170313 170.2
[M+K]+ 276.099648 160.2
[M+H-H2O]+ 220.133750 147.5
[M+HCOO]- 282.134691 173.6
[M+CH3COO]- 296.150341 194.7
[M+Na-2H]- 258.111156 162.0
[M]+ 237.13594142 156.4
[M]- 237.13703858 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.