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]+ 250.18016 159.6
[M+Na]+ 272.16210 165.8
[M-H]- 248.16560 164.1
[M+NH4]+ 267.20670 178.5
[M+K]+ 288.13604 163.8
[M+H-H2O]+ 232.17014 153.2
[M+HCOO]- 294.17108 181.9
[M+CH3COO]- 308.18673 198.3
[M+Na-2H]- 270.14755 164.2
[M]+ 249.17233 163.3
[M]- 249.17343 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.