CID 1234182

59082-26-7

Structural Information

Molecular Formula
C18H16O
SMILES
CC1=CC=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C18H16O/c1-13-6-8-14(9-7-13)12-16-11-10-15-4-2-3-5-17(15)18(16)19/h2-9,12H,10-11H2,1H3/b16-12+
InChIKey
PVROLXTXTZFNQT-FOWTUZBSSA-N
Compound name
(2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

8
Patents

248.12012 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12740 157.5
[M+Na]+ 271.10934 173.7
[M+NH4]+ 266.15394 167.7
[M+K]+ 287.08328 163.7
[M-H]- 247.11284 163.6
[M+Na-2H]- 269.09479 166.7
[M]+ 248.11957 161.8
[M]- 248.12067 161.8
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

patents stripe