CID 1761779

(4-butoxy-benzoylamino)-acetic acid

Structural Information

Molecular Formula

C₁₃H₁₇NO₄

SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)O

InChI

InChI=1S/C13H17NO4/c1-2-3-8-18-11-6-4-10(5-7-11)13(17)14-9-12(15)16/h4-7H,2-3,8-9H2,1H3,(H,14,17)(H,15,16)

InChIKey

UCEXMJMSILZCHZ-UHFFFAOYSA-N

Compound name

2-[(4-butoxybenzoyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2183
Patents: 251.11575 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]+	252.12303	157.7
[M+Na]+	274.10497	166.9
[M+NH4]+	269.14957	163.2
[M+K]+	290.07891	162.3
[M-H]-	250.10847	157.7
[M+Na-2H]-	272.09042	161.4
[M]+	251.11520	158.5
[M]-	251.11630	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe