CID 52261

73713-59-4

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

CCN(CC)CCCCCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H25NO2/c1-3-17(4-2)13-9-6-10-14-19-16(18)15-11-7-5-8-12-15/h5,7-8,11-12H,3-4,6,9-10,13-14H2,1-2H3

InChIKey

AHXVVPBUBCAOTR-UHFFFAOYSA-N

Compound name

5-(diethylamino)pentyl benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.18854 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.195816	166.6
[M+Na]+	286.177758	170.3
[M-H]-	262.181264	170.3
[M+NH4]+	281.222363	183.4
[M+K]+	302.151698	168.9
[M+H-H2O]+	246.185800	158.7
[M+HCOO]-	308.186741	190.0
[M+CH3COO]-	322.202391	204.1
[M+Na-2H]-	284.163206	169.2
[M]+	263.18799142	171.0
[M]-	263.18908858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.