CID 5373773

Cinoxate

Structural Information

Molecular Formula

C₁₄H₁₈O₄

SMILES

CCOCCOC(=O)/C=C/C1=CC=C(C=C1)OC

InChI

InChI=1S/C14H18O4/c1-3-17-10-11-18-14(15)9-6-12-4-7-13(16-2)8-5-12/h4-9H,3,10-11H2,1-2H3/b9-6+

InChIKey

CMDKPGRTAQVGFQ-RMKNXTFCSA-N

Compound name

2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 15
References: 16303
Patents: 250.12051 Da
Monoisotopic Mass: 2.4
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]+	251.127786	157.0
[M+Na]+	273.109728	163.5
[M-H]-	249.113234	160.2
[M+NH4]+	268.154333	174.3
[M+K]+	289.083668	161.8
[M+H-H2O]+	233.117770	150.2
[M+HCOO]-	295.118711	180.3
[M+CH3COO]-	309.134361	193.4
[M+Na-2H]-	271.095176	160.7
[M]+	250.11996142	162.7
[M]-	250.12105858	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe