CID 108385

59742-20-0

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CC1CC(=CCC1C=O)CCC=C(C)C

InChI

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

InChIKey

LDZKQVMZNGHEAT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 206.16707 Da
Monoisotopic Mass: 3.4
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]+	207.174346	149.7
[M+Na]+	229.156288	155.2
[M-H]-	205.159794	152.6
[M+NH4]+	224.200893	169.1
[M+K]+	245.130228	152.4
[M+H-H2O]+	189.164330	144.0
[M+HCOO]-	251.165271	169.3
[M+CH3COO]-	265.180921	189.9
[M+Na-2H]-	227.141736	150.7
[M]+	206.16652142	148.7
[M]-	206.16761858	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe