CID 18462436

218768-11-7

Structural Information

Molecular Formula
C15H14O3
SMILES
CC(=O)/C=C(/C1=CC2=C(C=C1)C=C(C=C2)OC)\O
InChI
InChI=1S/C15H14O3/c1-10(16)7-15(17)13-4-3-12-9-14(18-2)6-5-11(12)8-13/h3-9,17H,1-2H3/b15-7-
InChIKey
DXHMLWZECUPYHH-CHHVJCJISA-N
Compound name
(Z)-4-hydroxy-4-(6-methoxynaphthalen-2-yl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

242.0943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 153.6
[M+Na]+ 265.08352 166.6
[M+NH4]+ 260.12812 161.4
[M+K]+ 281.05746 160.3
[M-H]- 241.08702 155.2
[M+Na-2H]- 263.06897 159.1
[M]+ 242.09375 155.8
[M]- 242.09485 155.8
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

patents stripe