CID 3017715

51557-09-6

Structural Information

Molecular Formula
C14H12O
SMILES
CC(=O)C=CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H12O/c1-11(15)9-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,1H3
InChIKey
OYYZOYHZDFGMKD-UHFFFAOYSA-N
Compound name
4-naphthalen-1-ylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

196.08882 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.096096 141.7
[M+Na]+ 219.078038 149.8
[M-H]- 195.081544 146.2
[M+NH4]+ 214.122643 162.2
[M+K]+ 235.051978 145.7
[M+H-H2O]+ 179.086080 135.6
[M+HCOO]- 241.087021 164.2
[M+CH3COO]- 255.102671 185.5
[M+Na-2H]- 217.063486 148.7
[M]+ 196.08827142 141.9
[M]- 196.08936858 141.9
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.