CID 8872

Hexyl methacrylate

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CCCCCCOC(=O)C(=C)C

InChI

InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3

InChIKey

LNCPIMCVTKXXOY-UHFFFAOYSA-N

Compound name

hexyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 26
References: 65192
Patents: 170.13068 Da
Monoisotopic Mass: 4.0
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]+	171.137956	140.9
[M+Na]+	193.119898	146.8
[M-H]-	169.123404	140.8
[M+NH4]+	188.164503	161.5
[M+K]+	209.093838	146.2
[M+H-H2O]+	153.127940	136.0
[M+HCOO]-	215.128881	162.4
[M+CH3COO]-	229.144531	182.4
[M+Na-2H]-	191.105346	143.5
[M]+	170.13013142	143.9
[M]-	170.13122858	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe