CID 14522983

Hexadecyl (e)-ferulate

Structural Information

Molecular Formula
C26H42O4
SMILES
CCCCCCCCCCCCCCCCOC(=O)/C=C\C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-26(28)20-18-23-17-19-24(27)25(22-23)29-2/h17-20,22,27H,3-16,21H2,1-2H3/b20-18-
InChIKey
ZISDTRGMDDVTKY-ZZEZOPTASA-N
Compound name
hexadecyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

9
Patents

418.30832 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.31560 211.3
[M+Na]+ 441.29754 212.9
[M-H]- 417.30104 210.9
[M+NH4]+ 436.34214 221.1
[M+K]+ 457.27148 207.5
[M+H-H2O]+ 401.30558 202.5
[M+HCOO]- 463.30652 228.8
[M+CH3COO]- 477.32217 227.6
[M+Na-2H]- 439.28299 207.3
[M]+ 418.30777 219.8
[M]- 418.30887 219.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.