CID 45049481

2-(cinnamylidene)-1-tetralone

Structural Information

Molecular Formula
C19H16O
SMILES
C1C/C(=C\C=C/C2=CC=CC=C2)/C(=O)C3=CC=CC=C31
InChI
InChI=1S/C19H16O/c20-19-17(11-6-9-15-7-2-1-3-8-15)14-13-16-10-4-5-12-18(16)19/h1-12H,13-14H2/b9-6-,17-11+
InChIKey
OQYGAUAQOPHTES-LDZFKAGLSA-N
Compound name
(2E)-2-[(Z)-3-phenylprop-2-enylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12012 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12740 160.0
[M+Na]+ 283.10934 166.7
[M-H]- 259.11284 166.8
[M+NH4]+ 278.15394 177.5
[M+K]+ 299.08328 160.0
[M+H-H2O]+ 243.11738 152.1
[M+HCOO]- 305.11832 180.5
[M+CH3COO]- 319.13397 171.5
[M+Na-2H]- 281.09479 165.1
[M]+ 260.11957 156.5
[M]- 260.12067 156.5
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.