CID 46634

64046-49-7

Structural Information

Molecular Formula

C₁₃H₁₈ClNO₃

SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)OCCN(C)C

InChI

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

InChIKey

ANCZMHSEKNTIQM-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2-(4-chloro-2-methylphenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 271.09753 Da
Monoisotopic Mass: 2.8
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	160.0
[M+Na]+	294.086748	167.6
[M-H]-	270.090254	165.0
[M+NH4]+	289.131353	178.0
[M+K]+	310.060688	165.6
[M+H-H2O]+	254.094790	154.0
[M+HCOO]-	316.095731	180.2
[M+CH3COO]-	330.111381	203.1
[M+Na-2H]-	292.072196	162.6
[M]+	271.09698142	167.7
[M]-	271.09807858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe