CID 1241474

Nsc687669

Structural Information

Molecular Formula
C19H18O
SMILES
CC1=CC=C(C=C1)/C=C/2\CCCC3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18O/c1-14-9-11-15(12-10-14)13-17-7-4-6-16-5-2-3-8-18(16)19(17)20/h2-3,5,8-13H,4,6-7H2,1H3/b17-13+
InChIKey
LDCMXYLIKNLZEF-GHRIWEEISA-N
Compound name
(6E)-6-[(4-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.13577 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14305 159.8
[M+Na]+ 285.12499 165.7
[M-H]- 261.12849 168.1
[M+NH4]+ 280.16959 176.6
[M+K]+ 301.09893 164.4
[M+H-H2O]+ 245.13303 154.4
[M+HCOO]- 307.13397 179.5
[M+CH3COO]- 321.14962 171.2
[M+Na-2H]- 283.11044 163.8
[M]+ 262.13522 154.7
[M]- 262.13632 154.7
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.