CID 55265307

Tert-butyl n-(4-isocyanobutyl)carbamate

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)NCCCC[N+]#[C-]

InChI

InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-8-6-5-7-11-4/h5-8H2,1-3H3,(H,12,13)

InChIKey

IQLSCBFFDOONPZ-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-isocyanobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.13683 Da
Monoisotopic Mass: 1.3
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]+	199.14411	145.9
[M+Na]+	221.12605	155.0
[M+NH4]+	216.17065	149.3
[M+K]+	237.09999	149.0
[M-H]-	197.12955	138.6
[M+Na-2H]-	219.11150	145.9
[M]+	198.13628	144.1
[M]-	198.13738	144.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.