CID 9794090

6-hydroxyhexyl methacrylate

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CC(=C)C(=O)OCCCCCCO

InChI

InChI=1S/C10H18O3/c1-9(2)10(12)13-8-6-4-3-5-7-11/h11H,1,3-8H2,2H3

InChIKey

XFOFBPRPOAWWPA-UHFFFAOYSA-N

Compound name

6-hydroxyhexyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29144
Patents: 186.1256 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]+	187.132876	144.8
[M+Na]+	209.114818	150.1
[M-H]-	185.118324	143.1
[M+NH4]+	204.159423	163.9
[M+K]+	225.088758	149.1
[M+H-H2O]+	169.122860	139.8
[M+HCOO]-	231.123801	164.9
[M+CH3COO]-	245.139451	181.7
[M+Na-2H]-	207.100266	146.7
[M]+	186.12505142	147.3
[M]-	186.12614858	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe