CID 22896659

959694-34-9

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CNC(C1=CC=C(C=C1)O)C(=O)OC

InChI

InChI=1S/C10H13NO3/c1-11-9(10(13)14-2)7-3-5-8(12)6-4-7/h3-6,9,11-12H,1-2H3

InChIKey

XVUJVARDWCVHLW-UHFFFAOYSA-N

Compound name

methyl 2-(4-hydroxyphenyl)-2-(methylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 195.08954 Da
Monoisotopic Mass: 1.1
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]+	196.096816	141.8
[M+Na]+	218.078758	148.1
[M-H]-	194.082264	144.3
[M+NH4]+	213.123363	160.2
[M+K]+	234.052698	147.0
[M+H-H2O]+	178.086800	135.8
[M+HCOO]-	240.087741	164.5
[M+CH3COO]-	254.103391	184.1
[M+Na-2H]-	216.064206	146.0
[M]+	195.08899142	142.1
[M]-	195.09008858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe