CID 21893139

663172-80-3

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CC2CC(=O)C2C1

InChI

InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-5-7-4-9(13)8(7)6-12/h7-8H,4-6H2,1-3H3

InChIKey

SSFIFLZYPGAHGB-UHFFFAOYSA-N

Compound name

tert-butyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 211.12085 Da
Monoisotopic Mass: 0.6
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]+	212.12813	149.3
[M+Na]+	234.11007	153.1
[M+NH4]+	229.15467	152.1
[M+K]+	250.08401	153.2
[M-H]-	210.11357	145.0
[M+Na-2H]-	232.09552	147.6
[M]+	211.12030	147.1
[M]-	211.12140	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe