CID 95596

52475-86-2

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

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

InChI

InChI=1S/C14H22O/c1-12(2)5-4-6-13-7-9-14(3,11-15)10-8-13/h5,7,11H,4,6,8-10H2,1-3H3

InChIKey

VUIWFNRBSGUSIN-UHFFFAOYSA-N

Compound name

1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2158
Patents: 206.16707 Da
Monoisotopic Mass: 3.3
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]+	207.17435	149.5
[M+Na]+	229.15629	155.0
[M-H]-	205.15979	152.4
[M+NH4]+	224.20089	170.6
[M+K]+	245.13023	152.4
[M+H-H2O]+	189.16433	144.4
[M+HCOO]-	251.16527	169.2
[M+CH3COO]-	265.18092	188.3
[M+Na-2H]-	227.14174	152.4
[M]+	206.16652	148.4
[M]-	206.16762	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe