CID 3017456

3,4-dihydro-2,2,4-trimethyl-2h-quinoline-1-ethyl acetate

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC1CC(N(C2=CC=CC=C12)C(C)OC(=O)C)(C)C
InChI
InChI=1S/C16H23NO2/c1-11-10-16(4,5)17(12(2)19-13(3)18)15-9-7-6-8-14(11)15/h6-9,11-12H,10H2,1-5H3
InChIKey
HBIZVJQJSHSAGS-UHFFFAOYSA-N
Compound name
1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 161.4
[M+Na]+ 284.16210 168.7
[M-H]- 260.16560 164.4
[M+NH4]+ 279.20670 180.4
[M+K]+ 300.13604 166.5
[M+H-H2O]+ 244.17014 155.0
[M+HCOO]- 306.17108 178.0
[M+CH3COO]- 320.18673 200.4
[M+Na-2H]- 282.14755 163.9
[M]+ 261.17233 162.6
[M]- 261.17343 162.6
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.