CID 131849610

Spiro[1,3-dioxolane-2,8'(9'h)-[7h-7,9a]methanobenz[a]azulene]

Structural Information

Molecular Formula
C17H16O2
SMILES
C1COC2(O1)CC34CC2C=CC3=C5C=CC=CC5=C4
InChI
InChI=1S/C17H16O2/c1-2-4-14-12(3-1)9-16-10-13(5-6-15(14)16)17(11-16)18-7-8-19-17/h1-6,9,13H,7-8,10-11H2
InChIKey
WONUYULYMDCCPH-UHFFFAOYSA-N
Compound name
spiro[1,3-dioxolane-2,13'-tetracyclo[10.2.1.01,9.03,8]pentadeca-2,4,6,8,10-pentaene]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 154.0
[M+Na]+ 275.10426 164.4
[M-H]- 251.10776 163.9
[M+NH4]+ 270.14886 181.1
[M+K]+ 291.07820 161.2
[M+H-H2O]+ 235.11230 149.5
[M+HCOO]- 297.11324 173.4
[M+CH3COO]- 311.12889 168.1
[M+Na-2H]- 273.08971 160.1
[M]+ 252.11449 156.4
[M]- 252.11559 156.4
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.