CID 6482367

4-cyclohexene-1,3-dione, 5-hydroxy-2,2,6-trimethyl-6-(3-methyl-2-butenyl)-4-undecyl-

Structural Information

Molecular Formula
C25H42O3
SMILES
CCCCCCCCCCCC1=C(C(C(=O)C(C1=O)(C)CC=C(C)C)(C)C)O
InChI
InChI=1S/C25H42O3/c1-7-8-9-10-11-12-13-14-15-16-20-21(26)24(4,5)23(28)25(6,22(20)27)18-17-19(2)3/h17,26H,7-16,18H2,1-6H3
InChIKey
BFUGXXMQHLSKOI-UHFFFAOYSA-N
Compound name
5-hydroxy-2,6,6-trimethyl-2-(3-methylbut-2-enyl)-4-undecylcyclohex-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.3134 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.32068 194.2
[M+Na]+ 413.30262 199.4
[M-H]- 389.30612 195.3
[M+NH4]+ 408.34722 210.2
[M+K]+ 429.27656 194.6
[M+H-H2O]+ 373.31066 189.8
[M+HCOO]- 435.31160 209.3
[M+CH3COO]- 449.32725 226.3
[M+Na-2H]- 411.28807 190.7
[M]+ 390.31285 199.6
[M]- 390.31395 199.6
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

No patent data available for this compound.