CID 3016446

Henicosyl acrylate

Structural Information

Molecular Formula

C₂₄H₄₆O₂

SMILES

CCCCCCCCCCCCCCCCCCCCCOC(=O)C=C

InChI

InChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24(25)4-2/h4H,2-3,5-23H2,1H3

InChIKey

OYHXRBXEKFHLIB-UHFFFAOYSA-N

Compound name

henicosyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 366.3498 Da
Monoisotopic Mass: 11.0
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]+	367.357076	204.1
[M+Na]+	389.339018	204.3
[M-H]-	365.342524	201.1
[M+NH4]+	384.383623	216.7
[M+K]+	405.312958	199.5
[M+H-H2O]+	349.347060	196.3
[M+HCOO]-	411.348001	221.8
[M+CH3COO]-	425.363651	223.4
[M+Na-2H]-	387.324466	200.4
[M]+	366.34925142	213.0
[M]-	366.35034858	213.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe