CID 202536

Butylamine, n-(2-(2-((1,4-benzodioxan-5-yl)oxy)ethoxy)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C16H25NO4
SMILES
CCCCNCCOCCOC1=CC=CC2=C1OCCO2
InChI
InChI=1S/C16H25NO4/c1-2-3-7-17-8-9-18-10-11-19-14-5-4-6-15-16(14)21-13-12-20-15/h4-6,17H,2-3,7-13H2,1H3
InChIKey
NWLFFIAMLCMMPI-UHFFFAOYSA-N
Compound name
N-[2-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethoxy]ethyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.185616 170.1
[M+Na]+ 318.167558 173.8
[M-H]- 294.171064 174.3
[M+NH4]+ 313.212163 183.3
[M+K]+ 334.141498 173.8
[M+H-H2O]+ 278.175600 162.0
[M+HCOO]- 340.176541 189.3
[M+CH3COO]- 354.192191 204.9
[M+Na-2H]- 316.153006 177.2
[M]+ 295.17779142 175.0
[M]- 295.17888858 175.0
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.