CID 3016439

45127-97-7

Structural Information

Molecular Formula

C₁₀H₁₈O₄

SMILES

CCOCCOCCOC(=O)C(=C)C

InChI

InChI=1S/C10H18O4/c1-4-12-5-6-13-7-8-14-10(11)9(2)3/h2,4-8H2,1,3H3

InChIKey

WFTWWOCWRSUGAW-UHFFFAOYSA-N

Compound name

2-(2-ethoxyethoxy)ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3448
Patents: 202.12051 Da
Monoisotopic Mass: 1.2
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]+	203.12779	146.6
[M+Na]+	225.10973	152.3
[M-H]-	201.11323	146.4
[M+NH4]+	220.15433	165.7
[M+K]+	241.08367	152.7
[M+H-H2O]+	185.11777	141.2
[M+HCOO]-	247.11871	168.5
[M+CH3COO]-	261.13436	186.4
[M+Na-2H]-	223.09518	149.2
[M]+	202.11996	152.5
[M]-	202.12106	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe