CID 117164

13851-07-5

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

CC(C)C(=O)C(C)C(=O)C(C)CC=C(C)C

InChI

InChI=1S/C14H24O2/c1-9(2)7-8-11(5)14(16)12(6)13(15)10(3)4/h7,10-12H,8H2,1-6H3

InChIKey

VNEFXHWAHYWLHU-UHFFFAOYSA-N

Compound name

2,4,6,9-tetramethyldec-8-ene-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 224.17763 Da
Monoisotopic Mass: 3.9
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]+	225.18491	156.2
[M+Na]+	247.16685	160.0
[M-H]-	223.17035	155.8
[M+NH4]+	242.21145	174.3
[M+K]+	263.14079	159.6
[M+H-H2O]+	207.17489	151.2
[M+HCOO]-	269.17583	172.6
[M+CH3COO]-	283.19148	197.2
[M+Na-2H]-	245.15230	151.9
[M]+	224.17708	157.5
[M]-	224.17818	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe