CID 57415910

1251013-26-9

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CC2CC(C1)C2=O

InChI

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

InChIKey

HYSWAZRVGXDNQF-UHFFFAOYSA-N

Compound name

tert-butyl 6-oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 211.12085 Da
Monoisotopic Mass: 0.8
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	158.5
[M+Na]+	234.11007	163.0
[M-H]-	210.11357	156.0
[M+NH4]+	229.15467	173.9
[M+K]+	250.08401	165.5
[M+H-H2O]+	194.11811	149.5
[M+HCOO]-	256.11905	168.4
[M+CH3COO]-	270.13470	194.2
[M+Na-2H]-	232.09552	166.1
[M]+	211.12030	171.1
[M]-	211.12140	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe