CID 544580

1187656-20-7

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₄

SMILES

CC(C)(C)OC(=O)NCCCCC(C(=O)O)N

InChI

InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)

InChIKey

VVQIIIAZJXTLRE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 25
References: 4484
Patents: 246.15796 Da
Monoisotopic Mass: -1.6
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]+	247.16524	159.8
[M+Na]+	269.14718	163.1
[M-H]-	245.15068	157.7
[M+NH4]+	264.19178	175.5
[M+K]+	285.12112	163.1
[M+H-H2O]+	229.15522	154.1
[M+HCOO]-	291.15616	178.7
[M+CH3COO]-	305.17181	196.3
[M+Na-2H]-	267.13263	160.3
[M]+	246.15741	160.0
[M]-	246.15851	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe