CID 3016448

Tetracosyl methacrylate

Structural Information

Molecular Formula

C₂₈H₅₄O₂

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C

InChI

InChI=1S/C28H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-28(29)27(2)3/h2,4-26H2,1,3H3

InChIKey

XGCXMZWJYZLXQE-UHFFFAOYSA-N

Compound name

tetracosyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 365
Patents: 422.41238 Da
Monoisotopic Mass: 13.7
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]+	423.419656	222.5
[M+Na]+	445.401598	220.8
[M-H]-	421.405104	218.8
[M+NH4]+	440.446203	222.8
[M+K]+	461.375538	215.5
[M+H-H2O]+	405.409640	214.1
[M+HCOO]-	467.410581	230.8
[M+CH3COO]-	481.426231	235.8
[M+Na-2H]-	443.387046	215.4
[M]+	422.41183142	232.3
[M]-	422.41292858	232.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe