CID 637602

6404-29-1

Structural Information

Molecular Formula

C₁₁H₂₁NO₄

SMILES

CC(C)(C)OC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-8-6-4-5-7-9(13)14/h4-8H2,1-3H3,(H,12,15)(H,13,14)

InChIKey

RUFDYIJGNPVTAY-UHFFFAOYSA-N

Compound name

6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2418
Patents: 231.14706 Da
Monoisotopic Mass: 1.5
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	155.1
[M+Na]+	254.13628	161.0
[M+NH4]+	249.18088	159.4
[M+K]+	270.11022	158.5
[M-H]-	230.13978	151.5
[M+Na-2H]-	252.12173	155.1
[M]+	231.14651	154.3
[M]-	231.14761	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe