CID 83058449

4-hydroxy-n-[(2s)-2-hydroxypropyl]benzamide

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

C[C@@H](CNC(=O)C1=CC=C(C=C1)O)O

InChI

InChI=1S/C10H13NO3/c1-7(12)6-11-10(14)8-2-4-9(13)5-3-8/h2-5,7,12-13H,6H2,1H3,(H,11,14)/t7-/m0/s1

InChIKey

NYGFEEOHVNIUEK-ZETCQYMHSA-N

Compound name

4-hydroxy-N-[(2S)-2-hydroxypropyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.08954 Da
Monoisotopic Mass: 0.6
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]+	196.096816	142.4
[M+Na]+	218.078758	148.2
[M-H]-	194.082264	143.4
[M+NH4]+	213.123363	160.0
[M+K]+	234.052698	146.3
[M+H-H2O]+	178.086800	136.6
[M+HCOO]-	240.087741	163.5
[M+CH3COO]-	254.103391	181.6
[M+Na-2H]-	216.064206	146.1
[M]+	195.08899142	140.7
[M]-	195.09008858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.