CID 200877

N-(2-(1,4-benzodioxan-5-yloxy)ethyl)propylamine hydrochloride

Structural Information

Molecular Formula
C13H19NO3
SMILES
CCCNCCOC1=CC=CC2=C1OCCO2
InChI
InChI=1S/C13H19NO3/c1-2-6-14-7-8-15-11-4-3-5-12-13(11)17-10-9-16-12/h3-5,14H,2,6-10H2,1H3
InChIKey
YMRQGOKOXQIDQB-UHFFFAOYSA-N
Compound name
N-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

237.13649 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 153.6
[M+Na]+ 260.12571 158.8
[M-H]- 236.12921 158.4
[M+NH4]+ 255.17031 169.3
[M+K]+ 276.09965 158.9
[M+H-H2O]+ 220.13375 146.4
[M+HCOO]- 282.13469 173.6
[M+CH3COO]- 296.15034 193.8
[M+Na-2H]- 258.11116 162.2
[M]+ 237.13594 156.0
[M]- 237.13704 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

No literature data available for this compound.

Patent stripe

patents stripe