CID 49795

67293-09-8

Structural Information

Molecular Formula
C17H23NO2
SMILES
CCN(CC)CCOC(=O)C1C=CCC2=CC=CC=C12
InChI
InChI=1S/C17H23NO2/c1-3-18(4-2)12-13-20-17(19)16-11-7-9-14-8-5-6-10-15(14)16/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3
InChIKey
IGCGIKXDHDPTID-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1,4-dihydronaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 166.0
[M+Na]+ 296.162098 170.4
[M-H]- 272.165604 170.7
[M+NH4]+ 291.206703 183.4
[M+K]+ 312.136038 168.3
[M+H-H2O]+ 256.170140 158.3
[M+HCOO]- 318.171081 187.4
[M+CH3COO]- 332.186731 206.0
[M+Na-2H]- 294.147546 169.8
[M]+ 273.17233142 168.3
[M]- 273.17342858 168.3
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.