CID 3016576

Dodecylpentadecyl acrylate

Structural Information

Molecular Formula

C₃₀H₅₈O₂

SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)OC(=O)C=C

InChI

InChI=1S/C30H58O2/c1-4-7-9-11-13-15-17-18-20-22-24-26-28-29(32-30(31)6-3)27-25-23-21-19-16-14-12-10-8-5-2/h6,29H,3-5,7-28H2,1-2H3

InChIKey

UTMCSDLQVRFUET-UHFFFAOYSA-N

Compound name

heptacosan-13-yl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 450.4437 Da
Monoisotopic Mass: 14.1
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]+	451.450976	231.2
[M+Na]+	473.432918	228.6
[M-H]-	449.436424	214.3
[M+NH4]+	468.477523	229.9
[M+K]+	489.406858	222.8
[M+H-H2O]+	433.440960	222.4
[M+HCOO]-	495.441901	237.3
[M+CH3COO]-	509.457551	241.6
[M+Na-2H]-	471.418366	223.0
[M]+	450.44315142	230.8
[M]-	450.44424858	230.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe