CID 106949

2-ethyl-1,3-hexanediol diacrylate

Structural Information

Molecular Formula

C₁₄H₂₂O₄

SMILES

CCCC(C(CC)COC(=O)C=C)OC(=O)C=C

InChI

InChI=1S/C14H22O4/c1-5-9-12(18-14(16)8-4)11(6-2)10-17-13(15)7-3/h7-8,11-12H,3-6,9-10H2,1-2H3

InChIKey

IWUXTVVCZZSKON-UHFFFAOYSA-N

Compound name

(2-ethyl-3-prop-2-enoyloxyhexyl) prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 254.15181 Da
Monoisotopic Mass: 3.7
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]+	255.159086	161.8
[M+Na]+	277.141028	166.2
[M-H]-	253.144534	161.1
[M+NH4]+	272.185633	178.7
[M+K]+	293.114968	165.3
[M+H-H2O]+	237.149070	156.2
[M+HCOO]-	299.150011	180.9
[M+CH3COO]-	313.165661	197.6
[M+Na-2H]-	275.126476	160.0
[M]+	254.15126142	166.5
[M]-	254.15235858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe