CID 20825555

507264-68-8

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C9H14N2O2/c1-8(2,3)13-7(12)11-9(6-10)4-5-9/h4-5H2,1-3H3,(H,11,12)

InChIKey

RBTYXJDLTHWWTG-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-cyanocyclopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 182.10553 Da
Monoisotopic Mass: 1.1
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]+	183.11281	142.2
[M+Na]+	205.09475	151.6
[M+NH4]+	200.13935	147.5
[M+K]+	221.06869	144.8
[M-H]-	181.09825	141.6
[M+Na-2H]-	203.08020	147.3
[M]+	182.10498	143.5
[M]-	182.10608	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe