PubChemLite - Cavipetin d (C25H38O5)

Structural Information

Molecular Formula

SMILES

C/C(=C\CC/C(=C/COC(=O)/C(=C/C(=O)O)/C)/C)/CC/C=C(\C)/CC/C=C(\C)/CO

InChI

InChI=1S/C25H38O5/c1-19(9-6-10-20(2)12-8-14-22(4)18-26)11-7-13-21(3)15-16-30-25(29)23(5)17-24(27)28/h10-11,14-15,17,26H,6-9,12-13,16,18H2,1-5H3,(H,27,28)/b19-11+,20-10+,21-15+,22-14+,23-17+

InChIKey

OYLSINCAGYDFBO-SDWHTVMGSA-N

Compound name

(E)-4-[(2E,6E,10E,14E)-16-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-3-methyl-4-oxobut-2-enoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	419.27918	207.7
[M+Na]+	441.26112	211.5
[M+NH4]+	436.30572	211.2
[M+K]+	457.23506	209.2
[M-H]-	417.26462	205.5
[M+Na-2H]-	439.24657	213.7
[M]+	418.27135	207.4
[M]-	418.27245	207.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.27918

207.7

[M+Na]+

441.26112

211.5

[M+NH4]+

436.30572

211.2

[M+K]+

457.23506

209.2

[M-H]-

417.26462

205.5

[M+Na-2H]-

439.24657

213.7

[M]+

418.27135

207.4

[M]-

418.27245

207.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Cavipetin d

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe