CID 85431

16466-61-8

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₄

SMILES

CC(C)(C)OC(=O)NNC(=O)OC(C)(C)C

InChI

InChI=1S/C10H20N2O4/c1-9(2,3)15-7(13)11-12-8(14)16-10(4,5)6/h1-6H3,(H,11,13)(H,12,14)

InChIKey

TYSZETYVESRFNT-UHFFFAOYSA-N

Compound name

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 669
Patents: 232.1423 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]+	233.14958	153.9
[M+Na]+	255.13152	159.1
[M-H]-	231.13502	154.4
[M+NH4]+	250.17612	171.8
[M+K]+	271.10546	160.5
[M+H-H2O]+	215.13956	149.1
[M+HCOO]-	277.14050	174.8
[M+CH3COO]-	291.15615	193.1
[M+Na-2H]-	253.11697	158.9
[M]+	232.14175	156.6
[M]-	232.14285	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe