CID 135484957

Nsc693152

Structural Information

Molecular Formula
C18H18O
SMILES
C1C/C(=C\C2C=CC=C2)/C(=O)/C(=C\C3C=CC=C3)/C1
InChI
InChI=1S/C18H18O/c19-18-16(12-14-6-1-2-7-14)10-5-11-17(18)13-15-8-3-4-9-15/h1-4,6-9,12-15H,5,10-11H2/b16-12-,17-13+
InChIKey
JZTMISBXRIZYSW-RFTYBOQRSA-N
Compound name
(2E,6Z)-2,6-bis(cyclopenta-2,4-dien-1-ylmethylidene)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13577 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.14305 161.1
[M+Na]+ 273.12499 166.9
[M-H]- 249.12849 170.4
[M+NH4]+ 268.16959 181.3
[M+K]+ 289.09893 161.2
[M+H-H2O]+ 233.13303 154.2
[M+HCOO]- 295.13397 183.6
[M+CH3COO]- 309.14962 173.1
[M+Na-2H]- 271.11044 159.6
[M]+ 250.13522 156.2
[M]- 250.13632 156.2
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.