CID 45913

63979-18-0

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]+ 276.195816 167.2
[M+Na]+ 298.177758 170.6
[M-H]- 274.181264 171.5
[M+NH4]+ 293.222363 184.5
[M+K]+ 314.151698 168.7
[M+H-H2O]+ 258.185800 159.5
[M+HCOO]- 320.186741 187.2
[M+CH3COO]- 334.202391 206.4
[M+Na-2H]- 296.163206 170.0
[M]+ 275.18799142 168.1
[M]- 275.18908858 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.