CID 3022460

1-(hydroxymethyl)tridecyl methacrylate

Structural Information

Molecular Formula

C₁₈H₃₄O₃

SMILES

CCCCCCCCCCCCC(CO)OC(=O)C(=C)C

InChI

InChI=1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-17(15-19)21-18(20)16(2)3/h17,19H,2,4-15H2,1,3H3

InChIKey

DRSZLJIAYHKAOM-UHFFFAOYSA-N

Compound name

1-hydroxytetradecan-2-yl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 298.2508 Da
Monoisotopic Mass: 6.6
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]+	299.258076	181.8
[M+Na]+	321.240018	183.6
[M-H]-	297.243524	178.7
[M+NH4]+	316.284623	196.3
[M+K]+	337.213958	180.9
[M+H-H2O]+	281.248060	175.4
[M+HCOO]-	343.249001	198.3
[M+CH3COO]-	357.264651	206.5
[M+Na-2H]-	319.225466	178.2
[M]+	298.25025142	186.6
[M]-	298.25134858	186.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe