CID 56971684

936850-09-8

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

CC1(CN(C1)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C10H16N2O2/c1-9(2,3)14-8(13)12-6-10(4,5-11)7-12/h6-7H2,1-4H3

InChIKey

KRXUECUCCJEQAJ-UHFFFAOYSA-N

Compound name

tert-butyl 3-cyano-3-methylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 196.12119 Da
Monoisotopic Mass: 1.0
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	142.1
[M+Na]+	219.11041	149.6
[M-H]-	195.11391	144.6
[M+NH4]+	214.15501	154.7
[M+K]+	235.08435	153.1
[M+H-H2O]+	179.11845	126.8
[M+HCOO]-	241.11939	156.9
[M+CH3COO]-	255.13504	198.7
[M+Na-2H]-	217.09586	146.7
[M]+	196.12064	146.6
[M]-	196.12174	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe