CID 2775198

40786-69-4

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)O

InChI

InChI=1S/C11H14O3/c1-3-4-9-10(13)6-5-8(7(2)12)11(9)14/h5-6,13-14H,3-4H2,1-2H3

InChIKey

QGGRBWUQXAFYEC-UHFFFAOYSA-N

Compound name

1-(2,4-dihydroxy-3-propylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 467
Patents: 194.0943 Da
Monoisotopic Mass: 2.8
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]+	195.10158	142.0
[M+Na]+	217.08352	154.0
[M+NH4]+	212.12812	149.1
[M+K]+	233.05746	148.9
[M-H]-	193.08702	142.5
[M+Na-2H]-	215.06897	146.6
[M]+	194.09375	143.7
[M]-	194.09485	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe