CID 135484959

Nsc693153

Structural Information

Molecular Formula
C17H16O2
SMILES
C1/C(=C\C2C=CC=C2)/C(=O)/C(=C\C3C=CC=C3)/CO1
InChI
InChI=1S/C17H16O2/c18-17-15(9-13-5-1-2-6-13)11-19-12-16(17)10-14-7-3-4-8-14/h1-10,13-14H,11-12H2/b15-9-,16-10+
InChIKey
CUIDWTPSVRLBKV-CKOAPEAFSA-N
Compound name
(3Z,5E)-3,5-bis(cyclopenta-2,4-dien-1-ylmethylidene)oxan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11504 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 159.0
[M+Na]+ 275.10426 165.4
[M-H]- 251.10776 169.1
[M+NH4]+ 270.14886 177.9
[M+K]+ 291.07820 161.4
[M+H-H2O]+ 235.11230 152.7
[M+HCOO]- 297.11324 181.2
[M+CH3COO]- 311.12889 171.5
[M+Na-2H]- 273.08971 159.0
[M]+ 252.11449 155.9
[M]- 252.11559 155.9
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.