CID 183006

Cga 40172

Structural Information

Molecular Formula

C₁₅H₂₃NO₃

SMILES

CCC1=CC=CC(=C1N(C(C)COC)C(=O)CO)C

InChI

InChI=1S/C15H23NO3/c1-5-13-8-6-7-11(2)15(13)16(14(18)9-17)12(3)10-19-4/h6-8,12,17H,5,9-10H2,1-4H3

InChIKey

YRHZCHBPHOEWCA-UHFFFAOYSA-N

Compound name

N-(2-ethyl-6-methylphenyl)-2-hydroxy-N-(1-methoxypropan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 265.1678 Da
Monoisotopic Mass: 1.9
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]+	266.175076	164.0
[M+Na]+	288.157018	169.3
[M-H]-	264.160524	167.4
[M+NH4]+	283.201623	180.6
[M+K]+	304.130958	168.5
[M+H-H2O]+	248.165060	157.2
[M+HCOO]-	310.166001	185.5
[M+CH3COO]-	324.181651	203.8
[M+Na-2H]-	286.142466	164.2
[M]+	265.16725142	167.8
[M]-	265.16834858	167.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.