CID 5317019

Icosyl (z)-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

0
References

0
Patents

474.3709 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.37818 228.7
[M+Na]+ 497.36012 228.6
[M-H]- 473.36362 227.5
[M+NH4]+ 492.40472 236.2
[M+K]+ 513.33406 222.3
[M+H-H2O]+ 457.36816 219.1
[M+HCOO]- 519.36910 244.8
[M+CH3COO]- 533.38475 239.3
[M+Na-2H]- 495.34557 222.7
[M]+ 474.37035 238.6
[M]- 474.37145 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

literature stripe

Patent stripe

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