CID 630403

Hulupone

Structural Information

Molecular Formula
C20H28O4
SMILES
CC(C)CC(=O)C1=C(C(=O)C(C1=O)(CC=C(C)C)CC=C(C)C)O
InChI
InChI=1S/C20H28O4/c1-12(2)7-9-20(10-8-13(3)4)18(23)16(17(22)19(20)24)15(21)11-14(5)6/h7-8,14,22H,9-11H2,1-6H3
InChIKey
YDAFVJGIRJZGKB-UHFFFAOYSA-N
Compound name
4-hydroxy-5-(3-methylbutanoyl)-2,2-bis(3-methylbut-2-enyl)cyclopent-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

332.19876 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20604 177.2
[M+Na]+ 355.18798 183.4
[M-H]- 331.19148 179.2
[M+NH4]+ 350.23258 194.7
[M+K]+ 371.16192 179.8
[M+H-H2O]+ 315.19602 173.6
[M+HCOO]- 377.19696 193.7
[M+CH3COO]- 391.21261 212.6
[M+Na-2H]- 353.17343 170.9
[M]+ 332.19821 180.1
[M]- 332.19931 180.1
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.