CID 4097102

Boc-gly-otbu

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: 120
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]+	232.15434	154.3
[M+Na]+	254.13628	160.5
[M+NH4]+	249.18088	158.8
[M+K]+	270.11022	159.0
[M-H]-	230.13978	150.6
[M+Na-2H]-	252.12173	154.9
[M]+	231.14651	153.7
[M]-	231.14761	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe