CID 22235150

Methacrylic ester

Structural Information

Molecular Formula

C₁₂H₂₂O₃

SMILES

CC(C)C(C(C)(C)COC(=O)C(=C)C)O

InChI

InChI=1S/C12H22O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8,10,13H,3,7H2,1-2,4-6H3

InChIKey

JHPBZFOKBAGZBL-UHFFFAOYSA-N

Compound name

(3-hydroxy-2,2,4-trimethylpentyl) 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 39720
Patents: 214.15689 Da
Monoisotopic Mass: 3.0
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]+	215.164166	151.5
[M+Na]+	237.146108	156.1
[M-H]-	213.149614	150.0
[M+NH4]+	232.190713	169.5
[M+K]+	253.120048	156.0
[M+H-H2O]+	197.154150	147.3
[M+HCOO]-	259.155091	167.6
[M+CH3COO]-	273.170741	189.8
[M+Na-2H]-	235.131556	151.0
[M]+	214.15634142	153.0
[M]-	214.15743858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe