CID 11287272

Bancroftinone

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

CC1=C(C=C(C(=C1OC)C(=O)C)O)OC

InChI

InChI=1S/C11H14O4/c1-6-9(14-3)5-8(13)10(7(2)12)11(6)15-4/h5,13H,1-4H3

InChIKey

DUTVTRPNMVUOIS-UHFFFAOYSA-N

Compound name

1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 210.0892 Da
Monoisotopic Mass: 2.1
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]+	211.09648	141.9
[M+Na]+	233.07842	151.6
[M-H]-	209.08192	145.3
[M+NH4]+	228.12302	161.0
[M+K]+	249.05236	150.6
[M+H-H2O]+	193.08646	136.7
[M+HCOO]-	255.08740	164.4
[M+CH3COO]-	269.10305	187.7
[M+Na-2H]-	231.06387	144.8
[M]+	210.08865	146.8
[M]-	210.08975	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe