CID 20716165

253176-36-2

Structural Information

Molecular Formula

C₉H₁₅ClN₂O₃

SMILES

CC(C)(C)OC(=O)NC1CN(C1)C(=O)Cl

InChI

InChI=1S/C9H15ClN2O3/c1-9(2,3)15-8(14)11-6-4-12(5-6)7(10)13/h6H,4-5H2,1-3H3,(H,11,14)

InChIKey

KIJDWXNPHUPPCG-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-carbonochloridoylazetidin-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.07712 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]+	235.08440	150.5
[M+Na]+	257.06634	155.9
[M-H]-	233.06984	152.5
[M+NH4]+	252.11094	161.3
[M+K]+	273.04028	157.4
[M+H-H2O]+	217.07438	139.9
[M+HCOO]-	279.07532	164.5
[M+CH3COO]-	293.09097	193.3
[M+Na-2H]-	255.05179	153.1
[M]+	234.07657	161.1
[M]-	234.07767	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe