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]+ 261.127396 160.0
[M+Na]+ 283.109338 166.7
[M-H]- 259.112844 166.8
[M+NH4]+ 278.153943 177.5
[M+K]+ 299.083278 160.0
[M+H-H2O]+ 243.117380 152.1
[M+HCOO]- 305.118321 180.5
[M+CH3COO]- 319.133971 171.5
[M+Na-2H]- 281.094786 165.1
[M]+ 260.11957142 156.5
[M]- 260.12066858 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.