CID 22325136

387845-50-3

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

CC(C)(C)OC(=O)NC1(CC1)CC#N

InChI

InChI=1S/C10H16N2O2/c1-9(2,3)14-8(13)12-10(4-5-10)6-7-11/h4-6H2,1-3H3,(H,12,13)

InChIKey

HEILYIARKHMAGU-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-(cyanomethyl)cyclopropyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 196.12119 Da
Monoisotopic Mass: 1.5
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]+	197.12847	145.5
[M+Na]+	219.11041	154.8
[M+NH4]+	214.15501	150.8
[M+K]+	235.08435	147.8
[M-H]-	195.11391	145.0
[M+Na-2H]-	217.09586	150.5
[M]+	196.12064	146.9
[M]-	196.12174	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe