CID 102600890

171-00-6

Structural Information

Molecular Formula
C17H16O2
SMILES
C1COC2(O1)C[C@]34C[C@H]2C=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/t13-,16+/m1/s1
InChIKey
WONUYULYMDCCPH-CJNGLKHVSA-N
Compound name
(1'S,12'S)-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 153.2
[M+Na]+ 275.10426 166.0
[M+NH4]+ 270.14886 167.6
[M+K]+ 291.07820 160.2
[M-H]- 251.10776 159.9
[M+Na-2H]- 273.08971 159.2
[M]+ 252.11449 157.5
[M]- 252.11559 157.5
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.