CID 45913

1-naphthoic acid, 1,2,3,4-tetrahydro-, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCN(CC)CCOC(=O)C1CCCC2=CC=CC=C12
InChI
InChI=1S/C17H25NO2/c1-3-18(4-2)12-13-20-17(19)16-11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10,16H,3-4,7,9,11-13H2,1-2H3
InChIKey
CIEDIKSUDCEPNZ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 166.8
[M+Na]+ 298.17776 177.3
[M+NH4]+ 293.22236 175.1
[M+K]+ 314.15170 170.1
[M-H]- 274.18126 169.9
[M+Na-2H]- 296.16321 171.6
[M]+ 275.18799 169.0
[M]- 275.18909 169.0
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.