CID 83687

Boc-l-glutamine

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₅

SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)O

InChI

InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/m0/s1

InChIKey

VVNYDCGZZSTUBC-LURJTMIESA-N

Compound name

(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2613
Patents: 246.12157 Da
Monoisotopic Mass: -0.2
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]+	247.128846	155.9
[M+Na]+	269.110788	159.6
[M-H]-	245.114294	154.0
[M+NH4]+	264.155393	171.3
[M+K]+	285.084728	160.4
[M+H-H2O]+	229.118830	150.3
[M+HCOO]-	291.119771	174.6
[M+CH3COO]-	305.135421	195.6
[M+Na-2H]-	267.096236	155.9
[M]+	246.12102142	155.8
[M]-	246.12211858	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe