CID 47003388

Tert-butyl n-(cyanomethyl)-n-ethylcarbamate

Structural Information

Molecular Formula

C₉H₁₆N₂O₂

SMILES

CCN(CC#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C9H16N2O2/c1-5-11(7-6-10)8(12)13-9(2,3)4/h5,7H2,1-4H3

InChIKey

WDQGZBBATDSQEV-UHFFFAOYSA-N

Compound name

tert-butyl N-(cyanomethyl)-N-ethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 184.12119 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]+	185.12847	142.7
[M+Na]+	207.11041	150.6
[M+NH4]+	202.15501	145.9
[M+K]+	223.08435	144.0
[M-H]-	183.11391	134.5
[M+Na-2H]-	205.09586	143.1
[M]+	184.12064	140.4
[M]-	184.12174	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe