CID 106683

66310-72-3

Structural Information

Molecular Formula

C₁₆H₂₄O

SMILES

CC(=CCCC1=CCC(CC1)(CC=C)C=O)C

InChI

InChI=1S/C16H24O/c1-4-10-16(13-17)11-8-15(9-12-16)7-5-6-14(2)3/h4,6,8,13H,1,5,7,9-12H2,2-3H3

InChIKey

YITNGWUNAUULCK-UHFFFAOYSA-N

Compound name

4-(4-methylpent-3-enyl)-1-prop-2-enylcyclohex-3-ene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 232.18271 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]+	233.189986	157.0
[M+Na]+	255.171928	161.9
[M-H]-	231.175434	159.5
[M+NH4]+	250.216533	176.9
[M+K]+	271.145868	158.2
[M+H-H2O]+	215.179970	151.6
[M+HCOO]-	277.180911	176.2
[M+CH3COO]-	291.196561	193.5
[M+Na-2H]-	253.157376	158.8
[M]+	232.18216142	155.9
[M]-	232.18325858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe