CID 60287

Brn 2618665

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

CCN(CC)CCOC(=O)C1=C(C=C(C=C1C)C)C

InChI

InChI=1S/C16H25NO2/c1-6-17(7-2)8-9-19-16(18)15-13(4)10-12(3)11-14(15)5/h10-11H,6-9H2,1-5H3

InChIKey

VZVHWWWJZRQAOW-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2,4,6-trimethylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 263.18854 Da
Monoisotopic Mass: 3.6
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]+	264.19582	164.5
[M+Na]+	286.17776	175.9
[M+NH4]+	281.22236	171.8
[M+K]+	302.15170	169.4
[M-H]-	262.18126	166.9
[M+Na-2H]-	284.16321	169.4
[M]+	263.18799	166.7
[M]-	263.18909	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe