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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.132476 140.8
[M+Na]+ 219.114418 148.6
[M-H]- 195.117924 147.2
[M+NH4]+ 214.159023 162.5
[M+K]+ 235.088358 147.7
[M+H-H2O]+ 179.122460 137.4
[M+HCOO]- 241.123401 162.8
[M+CH3COO]- 255.139051 190.7
[M+Na-2H]- 217.099866 143.4
[M]+ 196.12465142 138.5
[M]- 196.12574858 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.