CID 58804878

860344-26-9

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

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

InChI

InChI=1S/C10H11NO3/c1-14-10(13)8-4-2-7(3-5-8)9(12)6-11/h2-5H,6,11H2,1H3

InChIKey

UCXYUTYDNUMEKZ-UHFFFAOYSA-N

Compound name

methyl 4-(2-aminoacetyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 193.0739 Da
Monoisotopic Mass: 1.0
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]+	194.08118	141.1
[M+Na]+	216.06312	151.7
[M+NH4]+	211.10772	148.0
[M+K]+	232.03706	147.2
[M-H]-	192.06662	142.1
[M+Na-2H]-	214.04857	146.3
[M]+	193.07335	142.6
[M]-	193.07445	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe