CID 3559319

35264-05-2

Structural Information

Molecular Formula

C₁₃H₂₃NO₄

SMILES

CC(C)(C)OC(=O)NC(C1CCCCC1)C(=O)O

InChI

InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)

InChIKey

QSUXZIPXYDQFCX-UHFFFAOYSA-N

Compound name

2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 699
Patents: 257.16272 Da
Monoisotopic Mass: 2.9
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]+	258.17000	160.4
[M+Na]+	280.15194	165.8
[M+NH4]+	275.19654	165.5
[M+K]+	296.12588	163.8
[M-H]-	256.15544	158.9
[M+Na-2H]-	278.13739	161.4
[M]+	257.16217	160.1
[M]-	257.16327	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe