CID 129908842

[(e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl] (z)-octadec-9-enoate

Structural Information

Molecular Formula
C28H42O5
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC(=O)/C=C/C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C28H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(30)33-28(31)22-20-24-19-21-25(29)26(23-24)32-2/h10-11,19-23,29H,3-9,12-18H2,1-2H3/b11-10-,22-20+
InChIKey
OLDGPQZTGAUULH-CUSRYYJFSA-N
Compound name
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.30322 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.31050 220.4
[M+Na]+ 481.29244 221.6
[M-H]- 457.29594 219.9
[M+NH4]+ 476.33704 228.4
[M+K]+ 497.26638 215.8
[M+H-H2O]+ 441.30048 211.4
[M+HCOO]- 503.30142 236.9
[M+CH3COO]- 517.31707 233.5
[M+Na-2H]- 479.27789 214.5
[M]+ 458.30267 228.9
[M]- 458.30377 228.9
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.