CID 16828

Refchem:930464

Structural Information

Molecular Formula
C13H19NO3
SMILES
COCCCNCC1COC2=CC=CC=C2O1
InChI
InChI=1S/C13H19NO3/c1-15-8-4-7-14-9-11-10-16-12-5-2-3-6-13(12)17-11/h2-3,5-6,11,14H,4,7-10H2,1H3
InChIKey
GRPLGTPSEOTLHW-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

2
Patents

237.13649 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 153.6
[M+Na]+ 260.125708 158.8
[M-H]- 236.129214 158.4
[M+NH4]+ 255.170313 169.3
[M+K]+ 276.099648 158.9
[M+H-H2O]+ 220.133750 146.4
[M+HCOO]- 282.134691 173.6
[M+CH3COO]- 296.150341 193.8
[M+Na-2H]- 258.111156 162.2
[M]+ 237.13594142 156.0
[M]- 237.13703858 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe