CID 129318370

2382194-29-6

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

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

InChI

InChI=1S/C10H13NO3/c1-11(7-12)6-10(14)8-3-2-4-9(13)5-8/h2-5,7,10,13-14H,6H2,1H3/t10-/m0/s1

InChIKey

FWGYUMJQRUSDAS-JTQLQIEISA-N

Compound name

N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylformamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.08954 Da
Monoisotopic Mass: -0.4
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	141.6
[M+Na]+	218.078758	147.8
[M-H]-	194.082264	144.0
[M+NH4]+	213.123363	159.9
[M+K]+	234.052698	146.7
[M+H-H2O]+	178.086800	135.5
[M+HCOO]-	240.087741	164.2
[M+CH3COO]-	254.103391	184.8
[M+Na-2H]-	216.064206	145.8
[M]+	195.08899142	141.9
[M]-	195.09008858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.