CID 199807

5023-46-1

Structural Information

Molecular Formula

C₁₃H₁₈ClNO₃

SMILES

CC(CN(C)C)OC(=O)COC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H18ClNO3/c1-10(8-15(2)3)18-13(16)9-17-12-6-4-11(14)5-7-12/h4-7,10H,8-9H2,1-3H3

InChIKey

ASIVHBMSDWKGGM-UHFFFAOYSA-N

Compound name

1-(dimethylamino)propan-2-yl 2-(4-chlorophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.09753 Da
Monoisotopic Mass: 2.9
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]+	272.104806	160.5
[M+Na]+	294.086748	166.9
[M-H]-	270.090254	165.2
[M+NH4]+	289.131353	178.1
[M+K]+	310.060688	165.4
[M+H-H2O]+	254.094790	154.4
[M+HCOO]-	316.095731	179.7
[M+CH3COO]-	330.111381	202.8
[M+Na-2H]-	292.072196	162.6
[M]+	271.09698142	167.2
[M]-	271.09807858	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.