CID 5702974

109399-50-0

Structural Information

Molecular Formula
C20H20O
SMILES
CC(C)C1=CC=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C20H20O/c1-14(2)16-9-7-15(8-10-16)13-18-12-11-17-5-3-4-6-19(17)20(18)21/h3-10,13-14H,11-12H2,1-2H3/b18-13+
InChIKey
ROZPBKIAQVTJRJ-QGOAFFKASA-N
Compound name
(2E)-2-[(4-propan-2-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.15143 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15871 165.4
[M+Na]+ 299.14065 171.8
[M-H]- 275.14415 172.4
[M+NH4]+ 294.18525 182.4
[M+K]+ 315.11459 166.1
[M+H-H2O]+ 259.14869 157.5
[M+HCOO]- 321.14963 184.2
[M+CH3COO]- 335.16528 202.4
[M+Na-2H]- 297.12610 168.0
[M]+ 276.15088 162.7
[M]- 276.15198 162.7
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.