CID 10173284

Cis-hydroxytyrosol oleate

Structural Information

Molecular Formula
C26H42O4
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(29)30-21-20-23-18-19-24(27)25(28)22-23/h9-10,18-19,22,27-28H,2-8,11-17,20-21H2,1H3/b10-9-
InChIKey
HYIZEYFHDOFSNE-KTKRTIGZSA-N
Compound name
2-(3,4-dihydroxyphenyl)ethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

418.30832 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.31560 211.3
[M+Na]+ 441.29754 212.5
[M-H]- 417.30104 209.5
[M+NH4]+ 436.34214 220.4
[M+K]+ 457.27148 206.3
[M+H-H2O]+ 401.30558 202.8
[M+HCOO]- 463.30652 227.3
[M+CH3COO]- 477.32217 225.2
[M+Na-2H]- 439.28299 206.9
[M]+ 418.30777 217.9
[M]- 418.30887 217.9
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

patents stripe