CID 2757217

215254-91-4

Structural Information

Molecular Formula

C₈H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C8H14N2O2/c1-8(2,3)12-7(11)10-6-5-9-4/h5-6H2,1-3H3,(H,10,11)

InChIKey

AOPWQDKNHIBIRD-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-isocyanoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 170.10553 Da
Monoisotopic Mass: 0.6
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]+	171.11281	137.9
[M+Na]+	193.09475	147.4
[M+NH4]+	188.13935	141.6
[M+K]+	209.06869	141.9
[M-H]-	169.09825	130.7
[M+Na-2H]-	191.08020	138.4
[M]+	170.10498	136.1
[M]-	170.10608	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe