CID 106017

2,2-dimethylpentyl methacrylate

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CCCC(C)(C)COC(=O)C(=C)C

InChI

InChI=1S/C11H20O2/c1-6-7-11(4,5)8-13-10(12)9(2)3/h2,6-8H2,1,3-5H3

InChIKey

YFDAAPDBSTZCJE-UHFFFAOYSA-N

Compound name

2,2-dimethylpentyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 25
Patents: 184.14633 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]+	185.153606	144.2
[M+Na]+	207.135548	150.1
[M-H]-	183.139054	144.3
[M+NH4]+	202.180153	164.4
[M+K]+	223.109488	149.7
[M+H-H2O]+	167.143590	139.9
[M+HCOO]-	229.144531	163.8
[M+CH3COO]-	243.160181	185.7
[M+Na-2H]-	205.120996	147.1
[M]+	184.14578142	147.2
[M]-	184.14687858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe