CID 53438182

Buddledin e

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC1CCC2C(CC2(C)C)C(=C)CC(=O)C1

InChI

InChI=1S/C15H24O/c1-10-5-6-14-13(9-15(14,3)4)11(2)8-12(16)7-10/h10,13-14H,2,5-9H2,1,3-4H3

InChIKey

XIFNHTVOUZHUCY-UHFFFAOYSA-N

Compound name

6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.18271 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

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]+	221.189986	147.2
[M+Na]+	243.171928	158.6
[M-H]-	219.175434	151.3
[M+NH4]+	238.216533	151.7
[M+K]+	259.145868	153.4
[M+H-H2O]+	203.179970	143.5
[M+HCOO]-	265.180911	153.3
[M+CH3COO]-	279.196561	154.9
[M+Na-2H]-	241.157376	157.9
[M]+	220.18216142	152.5
[M]-	220.18325858	152.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.