CID 18462436

73356-31-7

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 153.1
[M+Na]+ 265.08352 160.7
[M-H]- 241.08702 156.4
[M+NH4]+ 260.12812 171.1
[M+K]+ 281.05746 157.2
[M+H-H2O]+ 225.09156 147.0
[M+HCOO]- 287.09250 173.1
[M+CH3COO]- 301.10815 192.1
[M+Na-2H]- 263.06897 157.1
[M]+ 242.09375 154.4
[M]- 242.09485 154.4
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