CID 520739

Agn-pc-0js9n9

Structural Information

Molecular Formula
C15H22O2
SMILES
CC(=C1C=CC(O1)(C)C)C2CCC(O2)(C)C=C
InChI
InChI=1S/C15H22O2/c1-6-15(5)10-8-13(17-15)11(2)12-7-9-14(3,4)16-12/h6-7,9,13H,1,8,10H2,2-5H3
InChIKey
ZFMNPTVNDZBEHA-UHFFFAOYSA-N
Compound name
5-[1-(5-ethenyl-5-methyloxolan-2-yl)ethylidene]-2,2-dimethylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 153.0
[M+Na]+ 257.151208 160.2
[M-H]- 233.154714 160.9
[M+NH4]+ 252.195813 175.8
[M+K]+ 273.125148 159.5
[M+H-H2O]+ 217.159250 150.0
[M+HCOO]- 279.160191 172.2
[M+CH3COO]- 293.175841 190.7
[M+Na-2H]- 255.136656 154.9
[M]+ 234.16144142 153.2
[M]- 234.16253858 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.