CID 69689004

Tert-butyl 2-cyanoazetidine-1-carboxylate

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC1C#N

InChI

InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)11-5-4-7(11)6-10/h7H,4-5H2,1-3H3

InChIKey

WUFVFANOTQZHBP-UHFFFAOYSA-N

Compound name

tert-butyl 2-cyanoazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
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	143.4
[M+Na]+	205.09475	148.6
[M+NH4]+	200.13935	143.3
[M+K]+	221.06869	143.5
[M-H]-	181.09825	133.3
[M+Na-2H]-	203.08020	142.1
[M]+	182.10498	139.3
[M]-	182.10608	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe