CID 11252531

73096-98-7

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC(=O)C1=CC(=C(C=C1)O)CN(C)C

InChI

InChI=1S/C11H15NO2/c1-8(13)9-4-5-11(14)10(6-9)7-12(2)3/h4-6,14H,7H2,1-3H3

InChIKey

WAENDPRPZPEBQR-UHFFFAOYSA-N

Compound name

1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 193.11028 Da
Monoisotopic Mass: 1.1
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]+	194.117556	141.9
[M+Na]+	216.099498	149.2
[M-H]-	192.103004	146.0
[M+NH4]+	211.144103	161.5
[M+K]+	232.073438	148.3
[M+H-H2O]+	176.107540	136.0
[M+HCOO]-	238.108481	165.5
[M+CH3COO]-	252.124131	189.4
[M+Na-2H]-	214.084946	145.5
[M]+	193.10973142	143.5
[M]-	193.11082858	143.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.