CID 2824993

81196-09-0

Structural Information

Molecular Formula

C₁₃H₁₇NO₄

SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CC(=O)O

InChI

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

InChIKey

ZXYKUPPWJMOKGE-UHFFFAOYSA-N

Compound name

2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 323
Patents: 251.11575 Da
Monoisotopic Mass: 1.9
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]+	252.12303	157.2
[M+Na]+	274.10497	166.1
[M+NH4]+	269.14957	162.6
[M+K]+	290.07891	162.9
[M-H]-	250.10847	156.6
[M+Na-2H]-	272.09042	160.9
[M]+	251.11520	158.0
[M]-	251.11630	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe