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]+ 292.227096 173.5
[M+Na]+ 314.209038 179.0
[M-H]- 290.212544 177.8
[M+NH4]+ 309.253643 192.6
[M+K]+ 330.182978 176.9
[M+H-H2O]+ 274.217080 167.4
[M+HCOO]- 336.218021 193.6
[M+CH3COO]- 350.233671 207.6
[M+Na-2H]- 312.194486 176.4
[M]+ 291.21927142 177.8
[M]- 291.22036858 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.