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]+ 296.18562 170.1
[M+Na]+ 318.16756 173.8
[M-H]- 294.17106 174.3
[M+NH4]+ 313.21216 183.3
[M+K]+ 334.14150 173.8
[M+H-H2O]+ 278.17560 162.0
[M+HCOO]- 340.17654 189.3
[M+CH3COO]- 354.19219 204.9
[M+Na-2H]- 316.15301 177.2
[M]+ 295.17779 175.0
[M]- 295.17889 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.