CID 171789

(5-ethyl-1,3-dioxan-5-yl)methyl acrylate

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

CCC1(COCOC1)COC(=O)C=C

InChI

InChI=1S/C10H16O4/c1-3-9(11)14-7-10(4-2)5-12-8-13-6-10/h3H,1,4-8H2,2H3

InChIKey

STGXUBIZGYMIRM-UHFFFAOYSA-N

Compound name

(5-ethyl-1,3-dioxan-5-yl)methyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 506
Patents: 200.10486 Da
Monoisotopic Mass: 1.3
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]+	201.112136	143.4
[M+Na]+	223.094078	148.6
[M-H]-	199.097584	147.5
[M+NH4]+	218.138683	161.6
[M+K]+	239.068018	150.7
[M+H-H2O]+	183.102120	138.3
[M+HCOO]-	245.103061	161.8
[M+CH3COO]-	259.118711	181.8
[M+Na-2H]-	221.079526	150.3
[M]+	200.10431142	144.7
[M]-	200.10540858	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe