CID 130004413

1822616-67-0

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CC(C)(C)OC(=O)N1CC(=O)C2C1C2

InChI

InChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11-5-8(12)6-4-7(6)11/h6-7H,4-5H2,1-3H3

InChIKey

DPBUFAQYADWYEG-UHFFFAOYSA-N

Compound name

tert-butyl 4-oxo-2-azabicyclo[3.1.0]hexane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.1052 Da
Monoisotopic Mass: 0.9
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]+	198.11248	148.3
[M+Na]+	220.09442	158.7
[M-H]-	196.09792	152.5
[M+NH4]+	215.13902	164.8
[M+K]+	236.06836	155.8
[M+H-H2O]+	180.10246	143.3
[M+HCOO]-	242.10340	167.1
[M+CH3COO]-	256.11905	186.8
[M+Na-2H]-	218.07987	151.7
[M]+	197.10465	153.0
[M]-	197.10575	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe