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]+ 262.180156 161.4
[M+Na]+ 284.162098 168.7
[M-H]- 260.165604 164.4
[M+NH4]+ 279.206703 180.4
[M+K]+ 300.136038 166.5
[M+H-H2O]+ 244.170140 155.0
[M+HCOO]- 306.171081 178.0
[M+CH3COO]- 320.186731 200.4
[M+Na-2H]- 282.147546 163.9
[M]+ 261.17233142 162.6
[M]- 261.17342858 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.