CID 16789

2282-89-5

Structural Information

Molecular Formula
C17H27NO2
SMILES
CCC1=C(C(=CC=C1)CC)OC(=O)C(C)N(CC)CC
InChI
InChI=1S/C17H27NO2/c1-6-14-11-10-12-15(7-2)16(14)20-17(19)13(5)18(8-3)9-4/h10-13H,6-9H2,1-5H3
InChIKey
RZMPIRKHKYNEOV-UHFFFAOYSA-N
Compound name
(2,6-diethylphenyl) 2-(diethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.2042 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.21148 169.8
[M+Na]+ 300.19342 174.8
[M-H]- 276.19692 174.3
[M+NH4]+ 295.23802 186.7
[M+K]+ 316.16736 173.7
[M+H-H2O]+ 260.20146 162.5
[M+HCOO]- 322.20240 191.9
[M+CH3COO]- 336.21805 210.3
[M+Na-2H]- 298.17887 169.4
[M]+ 277.20365 174.8
[M]- 277.20475 174.8
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.