CID 3621307

137378-24-6

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CC(CO)(CO)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C11H15NO3/c1-11(7-13,8-14)12-10(15)9-5-3-2-4-6-9/h2-6,13-14H,7-8H2,1H3,(H,12,15)

InChIKey

CFLRHSNXFVBUKF-UHFFFAOYSA-N

Compound name

N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 209.1052 Da
Monoisotopic Mass: 0.1
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]+	210.11248	146.7
[M+Na]+	232.09442	151.9
[M-H]-	208.09792	147.4
[M+NH4]+	227.13902	163.7
[M+K]+	248.06836	149.6
[M+H-H2O]+	192.10246	141.0
[M+HCOO]-	254.10340	166.9
[M+CH3COO]-	268.11905	182.9
[M+Na-2H]-	230.07987	152.7
[M]+	209.10465	145.2
[M]-	209.10575	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe