CID 103648

Precyclemone b

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CC(=CCCC1=CCCC(C1)(C)C=O)C

InChI

InChI=1S/C14H22O/c1-12(2)6-4-7-13-8-5-9-14(3,10-13)11-15/h6,8,11H,4-5,7,9-10H2,1-3H3

InChIKey

MBVBLQFHVRGNLW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 976
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]+	207.174346	149.5
[M+Na]+	229.156288	155.0
[M-H]-	205.159794	152.4
[M+NH4]+	224.200893	170.6
[M+K]+	245.130228	152.4
[M+H-H2O]+	189.164330	144.4
[M+HCOO]-	251.165271	169.2
[M+CH3COO]-	265.180921	188.3
[M+Na-2H]-	227.141736	152.4
[M]+	206.16652142	148.4
[M]-	206.16761858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe