CID 18316698

133117-97-2

Structural Information

Molecular Formula

C₉H₁₆N₂O₂

SMILES

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

InChI

InChI=1S/C9H16N2O2/c1-8(2,3)13-7(12)11-9(4,5)6-10/h1-5H3,(H,11,12)

InChIKey

GIGXCVOTKUOLHM-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-cyanopropan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
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	143.2
[M+Na]+	207.11041	150.6
[M+NH4]+	202.15501	146.0
[M+K]+	223.08435	144.8
[M-H]-	183.11391	134.2
[M+Na-2H]-	205.09586	143.3
[M]+	184.12064	140.7
[M]-	184.12174	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe