CID 56743

Brn 1287396

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCC1C(C2=CC=CC=C2O1)CNCCCOC
InChI
InChI=1S/C15H23NO2/c1-3-14-13(11-16-9-6-10-17-2)12-7-4-5-8-15(12)18-14/h4-5,7-8,13-14,16H,3,6,9-11H2,1-2H3
InChIKey
JZFRTGLPHMKQPI-UHFFFAOYSA-N
Compound name
N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-3-methoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 159.6
[M+Na]+ 272.162098 165.8
[M-H]- 248.165604 164.1
[M+NH4]+ 267.206703 178.5
[M+K]+ 288.136038 163.8
[M+H-H2O]+ 232.170140 153.2
[M+HCOO]- 294.171081 181.9
[M+CH3COO]- 308.186731 198.3
[M+Na-2H]- 270.147546 164.2
[M]+ 249.17233142 163.3
[M]- 249.17342858 163.3
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.