CID 5280527

N-feruloylglycinate

Structural Information

Molecular Formula

C₁₂H₁₃NO₅

SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NCC(=O)O)O

InChI

InChI=1S/C12H13NO5/c1-18-10-6-8(2-4-9(10)14)3-5-11(15)13-7-12(16)17/h2-6,14H,7H2,1H3,(H,13,15)(H,16,17)/b5-3+

InChIKey

CLGNQAIRBLDHIN-HWKANZROSA-N

Compound name

2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 251.07938 Da
Monoisotopic Mass: 0.9
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]+	252.08666	155.6
[M+Na]+	274.06860	164.3
[M+NH4]+	269.11320	160.1
[M+K]+	290.04254	161.0
[M-H]-	250.07210	154.3
[M+Na-2H]-	272.05405	158.1
[M]+	251.07883	155.9
[M]-	251.07993	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe