CID 5317019

Icosyl (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Structural Information

Molecular Formula
C30H50O4
SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)/C=C\C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C30H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-30(32)24-22-27-21-23-28(31)29(26-27)33-2/h21-24,26,31H,3-20,25H2,1-2H3/b24-22-
InChIKey
UBNJQWYYWIBSGN-GYHWCHFESA-N
Compound name
icosyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

474.3709 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.378176 228.7
[M+Na]+ 497.360118 228.6
[M-H]- 473.363624 227.5
[M+NH4]+ 492.404723 236.2
[M+K]+ 513.334058 222.3
[M+H-H2O]+ 457.368160 219.1
[M+HCOO]- 519.369101 244.8
[M+CH3COO]- 533.384751 239.3
[M+Na-2H]- 495.345566 222.7
[M]+ 474.37035142 238.6
[M]- 474.37144858 238.6
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.