CID 377586

101221-47-0

Structural Information

Molecular Formula
C14H21NO3
SMILES
CN(CCCC1COC2=CC=CC=C2O1)CCO
InChI
InChI=1S/C14H21NO3/c1-15(9-10-16)8-4-5-12-11-17-13-6-2-3-7-14(13)18-12/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKey
PARIMXMLMWNNGN-UHFFFAOYSA-N
Compound name
2-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)propyl-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 159.0
[M+Na]+ 274.14137 170.2
[M+NH4]+ 269.18597 167.0
[M+K]+ 290.11531 164.2
[M-H]- 250.14487 164.2
[M+Na-2H]- 272.12682 162.9
[M]+ 251.15160 162.0
[M]- 251.15270 162.0
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.