CID 50987970

{6-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]hexan-2-yl}(ethyl)amine

Structural Information

Molecular Formula
C18H29NO2
SMILES
CCNC(C)CCCCOC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C18H29NO2/c1-5-19-14(2)9-6-7-12-20-16-11-8-10-15-13-18(3,4)21-17(15)16/h8,10-11,14,19H,5-7,9,12-13H2,1-4H3
InChIKey
NAVIFKDSHOZYDV-UHFFFAOYSA-N
Compound name
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylhexan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.21982 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.22710 173.5
[M+Na]+ 314.20904 179.0
[M-H]- 290.21254 177.8
[M+NH4]+ 309.25364 192.6
[M+K]+ 330.18298 176.9
[M+H-H2O]+ 274.21708 167.4
[M+HCOO]- 336.21802 193.6
[M+CH3COO]- 350.23367 207.6
[M+Na-2H]- 312.19449 176.4
[M]+ 291.21927 177.8
[M]- 291.22037 177.8
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.