CID 3085563

1-(2-(2-ethoxyethoxy)ethyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C18H29NO2
SMILES
CCOCCOCCN1C2=CC=CC=C2[C@@H](CC1(C)C)C
InChI
InChI=1S/C18H29NO2/c1-5-20-12-13-21-11-10-19-17-9-7-6-8-16(17)15(2)14-18(19,3)4/h6-9,15H,5,10-14H2,1-4H3/t15-/m1/s1
InChIKey
LHUHRYNUYWOJFX-OAHLLOKOSA-N
Compound name
(4R)-1-[2-(2-ethoxyethoxy)ethyl]-2,2,4-trimethyl-3,4-dihydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.21982 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.22710 172.4
[M+Na]+ 314.20904 178.9
[M-H]- 290.21254 174.7
[M+NH4]+ 309.25364 190.2
[M+K]+ 330.18298 175.7
[M+H-H2O]+ 274.21708 164.8
[M+HCOO]- 336.21802 190.0
[M+CH3COO]- 350.23367 206.1
[M+Na-2H]- 312.19449 176.0
[M]+ 291.21927 176.2
[M]- 291.22037 176.2
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

patents stripe