CID 4097102

Tert-butyl ((tert-butoxycarbonyl)amino)acetate

Structural Information

Molecular Formula

C₁₁H₂₁NO₄

SMILES

CC(C)(C)OC(=O)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C11H21NO4/c1-10(2,3)15-8(13)7-12-9(14)16-11(4,5)6/h7H2,1-6H3,(H,12,14)

InChIKey

ZDKFMHKWZATBMR-UHFFFAOYSA-N

Compound name

tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 231.14706 Da
Monoisotopic Mass: 1.8
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]+	232.154336	153.8
[M+Na]+	254.136278	159.4
[M-H]-	230.139784	154.2
[M+NH4]+	249.180883	172.0
[M+K]+	270.110218	160.6
[M+H-H2O]+	214.144320	149.4
[M+HCOO]-	276.145261	173.5
[M+CH3COO]-	290.160911	192.3
[M+Na-2H]-	252.121726	158.1
[M]+	231.14651142	158.0
[M]-	231.14760858	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe