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]+ 272.16451 164.9
[M+Na]+ 294.14645 170.3
[M-H]- 270.14995 170.0
[M+NH4]+ 289.19105 182.5
[M+K]+ 310.12039 168.1
[M+H-H2O]+ 254.15449 157.1
[M+HCOO]- 316.15543 187.7
[M+CH3COO]- 330.17108 205.6
[M+Na-2H]- 292.13190 169.6
[M]+ 271.15668 168.7
[M]- 271.15778 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.