CID 93297353

2381717-27-5

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

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

InChI

InChI=1S/C10H13NO3/c1-11(2)9(10(13)14)7-3-5-8(12)6-4-7/h3-6,9,12H,1-2H3,(H,13,14)/t9-/m1/s1

InChIKey

IHBDSGZFZFGSGU-SECBINFHSA-N

Compound name

(2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	141.7
[M+Na]+	218.078758	147.6
[M-H]-	194.082264	144.2
[M+NH4]+	213.123363	159.9
[M+K]+	234.052698	147.1
[M+H-H2O]+	178.086800	135.7
[M+HCOO]-	240.087741	163.3
[M+CH3COO]-	254.103391	185.7
[M+Na-2H]-	216.064206	144.7
[M]+	195.08899142	141.4
[M]-	195.09008858	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.