CID 179616

Xmv5io689c

Structural Information

Molecular Formula
C19H14O2
SMILES
C=C1CC2(C3=CC=CC=C3C=CC4=CC=CC=C42)OC1=O
InChI
InChI=1S/C19H14O2/c1-13-12-19(21-18(13)20)16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)19/h2-11H,1,12H2
InChIKey
HTMGHHHTOIMYDF-UHFFFAOYSA-N
Compound name
3-methylidenespiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09937 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10665 162.5
[M+Na]+ 297.08859 171.8
[M-H]- 273.09209 172.4
[M+NH4]+ 292.13319 182.6
[M+K]+ 313.06253 169.3
[M+H-H2O]+ 257.09663 157.8
[M+HCOO]- 319.09757 182.0
[M+CH3COO]- 333.11322 175.1
[M+Na-2H]- 295.07404 168.4
[M]+ 274.09882 159.9
[M]- 274.09992 159.9
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.