CID 11480507

Tert-butyl aziridine-2-carboxylate

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC(C)(C)OC(=O)C1CN1

InChI

InChI=1S/C7H13NO2/c1-7(2,3)10-6(9)5-4-8-5/h5,8H,4H2,1-3H3

InChIKey

MPJDBUSCAUGUHB-UHFFFAOYSA-N

Compound name

tert-butyl aziridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 143.09464 Da
Monoisotopic Mass: 0.5
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]+	144.10192	133.8
[M+Na]+	166.08386	144.5
[M+NH4]+	161.12846	141.2
[M+K]+	182.05780	142.3
[M-H]-	142.08736	139.3
[M+Na-2H]-	164.06931	139.9
[M]+	143.09409	137.7
[M]-	143.09519	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe