CID 38086

38693-05-9

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)CN

InChI

InChI=1S/C12H12N2O3/c13-5-12(16)17-7-11(15)9-6-14-10-4-2-1-3-8(9)10/h1-4,6,14H,5,7,13H2

InChIKey

DSJGHDMSKCFPRS-UHFFFAOYSA-N

Compound name

[2-(1H-indol-3-yl)-2-oxoethyl] 2-aminoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.0848 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]+	233.092076	149.8
[M+Na]+	255.074018	157.6
[M-H]-	231.077524	151.6
[M+NH4]+	250.118623	167.8
[M+K]+	271.047958	154.3
[M+H-H2O]+	215.082060	143.0
[M+HCOO]-	277.083001	172.1
[M+CH3COO]-	291.098651	188.6
[M+Na-2H]-	253.059466	154.0
[M]+	232.08425142	150.6
[M]-	232.08534858	150.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.