CID 84017113

N-boc-n-cyclobutyl-glycine

Structural Information

Molecular Formula

C₁₁H₁₉NO₄

SMILES

CC(C)(C)OC(=O)N(CC(=O)O)C1CCC1

InChI

InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12(7-9(13)14)8-5-4-6-8/h8H,4-7H2,1-3H3,(H,13,14)

InChIKey

GFXHZLIWJBHHGR-UHFFFAOYSA-N

Compound name

2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.13141 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]+	230.138686	155.5
[M+Na]+	252.120628	157.6
[M-H]-	228.124134	158.2
[M+NH4]+	247.165233	166.2
[M+K]+	268.094568	162.0
[M+H-H2O]+	212.128670	144.0
[M+HCOO]-	274.129611	173.4
[M+CH3COO]-	288.145261	195.3
[M+Na-2H]-	250.106076	156.5
[M]+	229.13086142	164.9
[M]-	229.13195858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.