CID 45908

63979-15-7

Structural Information

Molecular Formula
C17H21NO2
SMILES
CCN(CC)CCOC(=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C17H21NO2/c1-3-18(4-2)12-13-20-17(19)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3
InChIKey
ODRDVQSXQVIRSC-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.164506 164.9
[M+Na]+ 294.146448 170.3
[M-H]- 270.149954 170.0
[M+NH4]+ 289.191053 182.5
[M+K]+ 310.120388 168.1
[M+H-H2O]+ 254.154490 157.1
[M+HCOO]- 316.155431 187.7
[M+CH3COO]- 330.171081 205.6
[M+Na-2H]- 292.131896 169.6
[M]+ 271.15668142 168.7
[M]- 271.15777858 168.7
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.