CID 49074

67049-55-2

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

CC(C)(CN1CCOCC1)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H23NO3/c1-16(2,12-17-8-10-19-11-9-17)13-20-15(18)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3

InChIKey

QDAORLHSYCDILQ-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-3-morpholin-4-ylpropyl) benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.1678 Da
Monoisotopic Mass: 2.6
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]+	278.175076	166.4
[M+Na]+	300.157018	169.5
[M-H]-	276.160524	170.8
[M+NH4]+	295.201623	179.0
[M+K]+	316.130958	168.6
[M+H-H2O]+	260.165060	158.0
[M+HCOO]-	322.166001	181.9
[M+CH3COO]-	336.181651	197.5
[M+Na-2H]-	298.142466	170.9
[M]+	277.16725142	165.4
[M]-	277.16834858	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.