CID 395358

Nsc699840

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1C2CCCC2C1=O

InChI

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

InChIKey

WBSVYTMBRVVEOO-UHFFFAOYSA-N

Compound name

tert-butyl 7-oxo-6-azabicyclo[3.2.0]heptane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.12085 Da
Monoisotopic Mass: 1.5
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]+	212.12813	146.5
[M+Na]+	234.11007	152.4
[M-H]-	210.11357	149.5
[M+NH4]+	229.15467	160.6
[M+K]+	250.08401	154.6
[M+H-H2O]+	194.11811	136.9
[M+HCOO]-	256.11905	163.3
[M+CH3COO]-	270.13470	189.5
[M+Na-2H]-	232.09552	148.9
[M]+	211.12030	156.2
[M]-	211.12140	156.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.