CID 6271

4'-hydroxypropiophenone

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

CCC(=O)C1=CC=C(C=C1)O

InChI

InChI=1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3

InChIKey

RARSHUDCJQSEFJ-UHFFFAOYSA-N

Compound name

1-(4-hydroxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 127
References: 11853
Patents: 150.06808 Da
Monoisotopic Mass: 2.0
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]+	151.07536	129.1
[M+Na]+	173.05730	137.1
[M-H]-	149.06080	131.8
[M+NH4]+	168.10190	149.9
[M+K]+	189.03124	135.3
[M+H-H2O]+	133.06534	124.1
[M+HCOO]-	195.06628	151.9
[M+CH3COO]-	209.08193	173.8
[M+Na-2H]-	171.04275	135.0
[M]+	150.06753	129.1
[M]-	150.06863	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe