CID 16205173

Ns00127093

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC1CCN(C2=CC=CC=C12)C(C)(C)COC(=O)C
InChI
InChI=1S/C16H23NO2/c1-12-9-10-17(15-8-6-5-7-14(12)15)16(3,4)11-19-13(2)18/h5-8,12H,9-11H2,1-4H3
InChIKey
YYNJSDKDLHBAHV-UHFFFAOYSA-N
Compound name
[2-methyl-2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 163.2
[M+Na]+ 284.162098 169.3
[M-H]- 260.165604 165.7
[M+NH4]+ 279.206703 180.0
[M+K]+ 300.136038 166.7
[M+H-H2O]+ 244.170140 156.3
[M+HCOO]- 306.171081 179.1
[M+CH3COO]- 320.186731 199.2
[M+Na-2H]- 282.147546 167.2
[M]+ 261.17233142 163.8
[M]- 261.17342858 163.8
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.