CID 100148

N-alpha-boc-l-lysine

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₄

SMILES

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

InChI

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

InChIKey

DQUHYEDEGRNAFO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 708
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	158.8
[M+Na]+	269.14718	162.8
[M+NH4]+	264.19178	162.3
[M+K]+	285.12112	161.7
[M-H]-	245.15068	155.0
[M+Na-2H]-	267.13263	157.6
[M]+	246.15741	157.5
[M]-	246.15851	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe