CID 57516625

1334675-26-1

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂

SMILES

CCC1(CN(C1)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C11H18N2O2/c1-5-11(6-12)7-13(8-11)9(14)15-10(2,3)4/h5,7-8H2,1-4H3

InChIKey

FHEUSLDCXWJCHO-UHFFFAOYSA-N

Compound name

tert-butyl 3-cyano-3-ethylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 210.13683 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]+	211.14411	146.1
[M+Na]+	233.12605	153.2
[M-H]-	209.12955	148.4
[M+NH4]+	228.17065	158.2
[M+K]+	249.09999	156.5
[M+H-H2O]+	193.13409	130.7
[M+HCOO]-	255.13503	160.7
[M+CH3COO]-	269.15068	201.3
[M+Na-2H]-	231.11150	150.3
[M]+	210.13628	150.9
[M]-	210.13738	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe