CID 27780

5,6,7,8-tetrahydro-2-naphthaleneacetic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCN(CC)CCOC(=O)CC1=CC2=C(CCCC2)C=C1
InChI
InChI=1S/C18H27NO2/c1-3-19(4-2)11-12-21-18(20)14-15-9-10-16-7-5-6-8-17(16)13-15/h9-10,13H,3-8,11-12,14H2,1-2H3
InChIKey
YBCUKHNBDGHNHE-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 171.9
[M+Na]+ 312.19342 174.8
[M-H]- 288.19692 176.0
[M+NH4]+ 307.23802 188.6
[M+K]+ 328.16736 172.7
[M+H-H2O]+ 272.20146 164.0
[M+HCOO]- 334.20240 191.5
[M+CH3COO]- 348.21805 209.3
[M+Na-2H]- 310.17887 174.1
[M]+ 289.20365 173.1
[M]- 289.20475 173.1
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.