CID 214380

33098-86-1

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

CC1=CC(=CC(=C1NC(=O)C)C)OC(=O)C

InChI

InChI=1S/C12H15NO3/c1-7-5-11(16-10(4)15)6-8(2)12(7)13-9(3)14/h5-6H,1-4H3,(H,13,14)

InChIKey

WKGVDZPWQNGVBP-UHFFFAOYSA-N

Compound name

(4-acetamido-3,5-dimethylphenyl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 221.1052 Da
Monoisotopic Mass: 1.2
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]+	222.11248	147.8
[M+Na]+	244.09442	155.9
[M-H]-	220.09792	152.2
[M+NH4]+	239.13902	166.5
[M+K]+	260.06836	154.8
[M+H-H2O]+	204.10246	141.8
[M+HCOO]-	266.10340	171.5
[M+CH3COO]-	280.11905	193.6
[M+Na-2H]-	242.07987	150.2
[M]+	221.10465	150.7
[M]-	221.10575	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe