CID 333435

125342-48-5

Structural Information

Molecular Formula

C₁₁H₂₁NO₄

SMILES

CCCCC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C11H21NO4/c1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)

InChIKey

ZIOCIQJXEKFHJO-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1243
Patents: 231.14706 Da
Monoisotopic Mass: 2.4
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]+	232.15434	155.0
[M+Na]+	254.13628	160.6
[M+NH4]+	249.18088	159.2
[M+K]+	270.11022	158.9
[M-H]-	230.13978	151.2
[M+Na-2H]-	252.12173	154.6
[M]+	231.14651	154.1
[M]-	231.14761	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe