CID 13782798

107070-69-9

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC(=O)C1=C(C=C(C=C1)N(C)C)O

InChI

InChI=1S/C10H13NO2/c1-7(12)9-5-4-8(11(2)3)6-10(9)13/h4-6,13H,1-3H3

InChIKey

PKUCBGNNGAEELT-UHFFFAOYSA-N

Compound name

1-[4-(dimethylamino)-2-hydroxyphenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 179.09464 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]+	180.10192	137.2
[M+Na]+	202.08386	144.9
[M-H]-	178.08736	141.5
[M+NH4]+	197.12846	157.3
[M+K]+	218.05780	144.2
[M+H-H2O]+	162.09190	131.5
[M+HCOO]-	224.09284	161.1
[M+CH3COO]-	238.10849	186.4
[M+Na-2H]-	200.06931	141.3
[M]+	179.09409	138.4
[M]-	179.09519	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe