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 167.2
[M+Na]+ 298.17776 170.6
[M-H]- 274.18126 171.5
[M+NH4]+ 293.22236 184.5
[M+K]+ 314.15170 168.7
[M+H-H2O]+ 258.18580 159.5
[M+HCOO]- 320.18674 187.2
[M+CH3COO]- 334.20239 206.4
[M+Na-2H]- 296.16321 170.0
[M]+ 275.18799 168.1
[M]- 275.18909 168.1
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.