CID 101083223

N-decanyl ferulate

Structural Information

Molecular Formula

C₂₀H₃₀O₄

SMILES

CCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C20H30O4/c1-3-4-5-6-7-8-9-10-15-24-20(22)14-12-17-11-13-18(21)19(16-17)23-2/h11-14,16,21H,3-10,15H2,1-2H3/b14-12+

InChIKey

OAKXNYBUHYWPNB-WYMLVPIESA-N

Compound name

decyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 334.21442 Da
Monoisotopic Mass: 6.3
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]+	335.22170	184.4
[M+Na]+	357.20364	188.7
[M-H]-	333.20714	185.3
[M+NH4]+	352.24824	197.8
[M+K]+	373.17758	184.8
[M+H-H2O]+	317.21168	176.9
[M+HCOO]-	379.21262	204.1
[M+CH3COO]-	393.22827	210.0
[M+Na-2H]-	355.18909	183.7
[M]+	334.21387	190.8
[M]-	334.21497	190.8

Literature stripe

literature stripe

Patent stripe

patents stripe