CID 6482366

Colupone

Structural Information

Molecular Formula
C30H44O4
SMILES
CC(C)C(=O)C1=C(C(C(=O)C(C1=O)(CC=C(C)C)CC=C(C)C)(CC=C(C)C)CC=C(C)C)O
InChI
InChI=1S/C30H44O4/c1-19(2)11-15-29(16-12-20(3)4)26(32)24(25(31)23(9)10)27(33)30(28(29)34,17-13-21(5)6)18-14-22(7)8/h11-14,23,32H,15-18H2,1-10H3
InChIKey
KPPHPIMYCLGAER-UHFFFAOYSA-N
Compound name
5-hydroxy-2,2,6,6-tetrakis(3-methylbut-2-enyl)-4-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

468.32397 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.33125 205.9
[M+Na]+ 491.31319 209.4
[M-H]- 467.31669 206.5
[M+NH4]+ 486.35779 223.9
[M+K]+ 507.28713 204.9
[M+H-H2O]+ 451.32123 203.1
[M+HCOO]- 513.32217 215.7
[M+CH3COO]- 527.33782 242.4
[M+Na-2H]- 489.29864 195.5
[M]+ 468.32342 208.8
[M]- 468.32452 208.8
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.