CID 6366564

95470-29-4

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

CC1=CCCC(C1/C=C/C(=O)CC(=O)C)(C)C

InChI

InChI=1S/C15H22O2/c1-11-6-5-9-15(3,4)14(11)8-7-13(17)10-12(2)16/h6-8,14H,5,9-10H2,1-4H3/b8-7+

InChIKey

MDWSMUFPCWONGB-BQYQJAHWSA-N

Compound name

(E)-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-ene-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.16199 Da
Monoisotopic Mass: 2.8
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]+	235.169266	153.9
[M+Na]+	257.151208	160.0
[M-H]-	233.154714	157.1
[M+NH4]+	252.195813	174.1
[M+K]+	273.125148	157.6
[M+H-H2O]+	217.159250	149.2
[M+HCOO]-	279.160191	172.7
[M+CH3COO]-	293.175841	194.5
[M+Na-2H]-	255.136656	154.7
[M]+	234.16144142	153.8
[M]-	234.16253858	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe