CID 2728863

85006-25-3

Structural Information

Molecular Formula

C₁₀H₁₉NO₅

SMILES

CC(C)(C)OC(=O)NOC(=O)OC(C)(C)C

InChI

InChI=1S/C10H19NO5/c1-9(2,3)14-7(12)11-16-8(13)15-10(4,5)6/h1-6H3,(H,11,12)

InChIKey

AGOSGCWATIJZHQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 757
Patents: 233.12633 Da
Monoisotopic Mass: 2.4
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]+	234.13361	152.7
[M+Na]+	256.11555	158.7
[M+NH4]+	251.16015	156.8
[M+K]+	272.08949	157.9
[M-H]-	232.11905	148.5
[M+Na-2H]-	254.10100	153.1
[M]+	233.12578	151.9
[M]-	233.12688	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe