CID 103855

53892-71-0

Structural Information

Molecular Formula

C₁₉H₂₈O

SMILES

CC1=C(C(CCC1)(C)C)CC=C(C)C=CC=C(C)C=O

InChI

InChI=1S/C19H28O/c1-15(8-6-9-16(2)14-20)11-12-18-17(3)10-7-13-19(18,4)5/h6,8-9,11,14H,7,10,12-13H2,1-5H3

InChIKey

QZDNGQHXXIMLFS-UHFFFAOYSA-N

Compound name

2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-2,4,6-trienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 272.21402 Da
Monoisotopic Mass: 5.3
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]+	273.221296	167.3
[M+Na]+	295.203238	172.2
[M-H]-	271.206744	169.9
[M+NH4]+	290.247843	186.1
[M+K]+	311.177178	167.8
[M+H-H2O]+	255.211280	162.2
[M+HCOO]-	317.212221	184.8
[M+CH3COO]-	331.227871	202.3
[M+Na-2H]-	293.188686	166.0
[M]+	272.21347142	166.3
[M]-	272.21456858	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe