CID 12304930

Lactarofulvene

Structural Information

Molecular Formula

C₁₅H₁₆

SMILES

CC1=CCC(=CC2=C1C=CC2=C)C(=C)C

InChI

InChI=1S/C15H16/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-6,8-9H,1,4,7H2,2-3H3

InChIKey

YYIAVHDWWCIAMQ-UHFFFAOYSA-N

Compound name

4-methyl-1-methylidene-7-prop-1-en-2-yl-6H-azulene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 196.1252 Da
Monoisotopic Mass: 3.5
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]+	197.13248	140.8
[M+Na]+	219.11442	148.6
[M-H]-	195.11792	147.2
[M+NH4]+	214.15902	162.5
[M+K]+	235.08836	147.7
[M+H-H2O]+	179.12246	137.4
[M+HCOO]-	241.12340	162.8
[M+CH3COO]-	255.13905	190.7
[M+Na-2H]-	217.09987	143.4
[M]+	196.12465	138.5
[M]-	196.12575	138.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.