CID 13847819

Isotetradecyl methacrylate

Structural Information

Molecular Formula

C₁₈H₃₄O₂

SMILES

CC(C)CCCCCCCCCCCOC(=O)C(=C)C

InChI

InChI=1S/C18H34O2/c1-16(2)14-12-10-8-6-5-7-9-11-13-15-20-18(19)17(3)4/h16H,3,5-15H2,1-2,4H3

InChIKey

MRUNBWPNLIPKOT-UHFFFAOYSA-N

Compound name

12-methyltridecyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 282.2559 Da
Monoisotopic Mass: 8.0
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]+	283.263176	178.3
[M+Na]+	305.245118	180.6
[M-H]-	281.248624	176.7
[M+NH4]+	300.289723	194.3
[M+K]+	321.219058	178.3
[M+H-H2O]+	265.253160	171.9
[M+HCOO]-	327.254101	196.1
[M+CH3COO]-	341.269751	207.2
[M+Na-2H]-	303.230566	175.2
[M]+	282.25535142	183.7
[M]-	282.25644858	183.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe