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

2
Annotation Hits: 0
References: 13
Patents: 242.0943 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.101576	153.1
[M+Na]+	265.083518	160.7
[M-H]-	241.087024	156.4
[M+NH4]+	260.128123	171.1
[M+K]+	281.057458	157.2
[M+H-H2O]+	225.091560	147.0
[M+HCOO]-	287.092501	173.1
[M+CH3COO]-	301.108151	192.1
[M+Na-2H]-	263.068966	157.1
[M]+	242.09375142	154.4
[M]-	242.09484858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe