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

219
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

literature stripe

Patent stripe

patents stripe