CID 10385745

Tetradecyl ferulate

Structural Information

Molecular Formula

C₂₄H₃₈O₄

SMILES

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

InChI

InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-28-24(26)18-16-21-15-17-22(25)23(20-21)27-2/h15-18,20,25H,3-14,19H2,1-2H3/b18-16+

InChIKey

ORLGRYVAVYRPCN-FBMGVBCBSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 4
Patents: 390.277 Da
Monoisotopic Mass: 8.5
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]+	391.28428	202.4
[M+Na]+	413.26622	204.9
[M-H]-	389.26972	202.5
[M+NH4]+	408.31082	213.4
[M+K]+	429.24016	200.0
[M+H-H2O]+	373.27426	194.0
[M+HCOO]-	435.27520	220.6
[M+CH3COO]-	449.29085	221.8
[M+Na-2H]-	411.25167	199.5
[M]+	390.27645	210.2
[M]-	390.27755	210.2

Literature stripe

literature stripe

Patent stripe

patents stripe