CID 6365527

54757-48-1

Structural Information

Molecular Formula

C₁₆H₂₂O₂

SMILES

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

InChI

InChI=1S/C16H22O2/c1-7-16(5,17)9-8-14-11(2)10-15(18-6)13(4)12(14)3/h7-10,17H,1H2,2-6H3/b9-8+

InChIKey

DLEFXRUYVNNBFL-CMDGGOBGSA-N

Compound name

(1E)-1-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpenta-1,4-dien-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 19
Patents: 246.16199 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]+	247.169266	157.1
[M+Na]+	269.151208	166.0
[M-H]-	245.154714	160.0
[M+NH4]+	264.195813	175.2
[M+K]+	285.125148	162.0
[M+H-H2O]+	229.159250	152.2
[M+HCOO]-	291.160191	177.2
[M+CH3COO]-	305.175841	196.6
[M+Na-2H]-	267.136656	159.4
[M]+	246.16144142	160.3
[M]-	246.16253858	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe