CID 56383

3012 i.s.

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCC1C(C2=CC=CC=C2O1)CNCCOC
InChI
InChI=1S/C14H21NO2/c1-3-13-12(10-15-8-9-16-2)11-6-4-5-7-14(11)17-13/h4-7,12-13,15H,3,8-10H2,1-2H3
InChIKey
FIPVOZYHDHAMHY-UHFFFAOYSA-N
Compound name
N-[(2-ethyl-2,3-dihydro-1-benzofuran-3-yl)methyl]-2-methoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 154.9
[M+Na]+ 258.14645 161.5
[M-H]- 234.14995 159.6
[M+NH4]+ 253.19105 174.4
[M+K]+ 274.12039 159.8
[M+H-H2O]+ 218.15449 148.7
[M+HCOO]- 280.15543 177.5
[M+CH3COO]- 294.17108 195.2
[M+Na-2H]- 256.13190 160.1
[M]+ 235.15668 158.2
[M]- 235.15778 158.2
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.