CID 71577769

Elemenal

Structural Information

Molecular Formula

C₁₅H₂₂O

SMILES

CC(=C)C1CC(CCC1(C)C=C)C(=C)C=O

InChI

InChI=1S/C15H22O/c1-6-15(5)8-7-13(12(4)10-16)9-14(15)11(2)3/h6,10,13-14H,1-2,4,7-9H2,3,5H3

InChIKey

DJZHNAGRSWMVPA-UHFFFAOYSA-N

Compound name

2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)prop-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 218.16707 Da
Monoisotopic Mass: 4.7
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]+	219.17435	150.2
[M+Na]+	241.15629	155.6
[M-H]-	217.15979	153.1
[M+NH4]+	236.20089	170.8
[M+K]+	257.13023	152.3
[M+H-H2O]+	201.16433	145.8
[M+HCOO]-	263.16527	167.5
[M+CH3COO]-	277.18092	192.7
[M+Na-2H]-	239.14174	150.1
[M]+	218.16652	146.5
[M]-	218.16762	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe