CID 5362828

Germacr-1(10)-ene-5,8-dione

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CC1CC/C=C(\CC(=O)C(CC1=O)C(C)C)/C

InChI

InChI=1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/b11-6-

InChIKey

KDPFMRXIVDLQKX-WDZFZDKYSA-N

Compound name

(6Z)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 42
References: 526
Patents: 236.17763 Da
Monoisotopic Mass: 2.7
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]+	237.184906	151.9
[M+Na]+	259.166848	158.3
[M-H]-	235.170354	152.9
[M+NH4]+	254.211453	167.9
[M+K]+	275.140788	156.9
[M+H-H2O]+	219.174890	149.8
[M+HCOO]-	281.175831	169.8
[M+CH3COO]-	295.191481	192.2
[M+Na-2H]-	257.152296	150.3
[M]+	236.17708142	147.8
[M]-	236.17817858	147.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.