CID 52333005

1181816-12-5

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CC(=O)C2

InChI

InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-11/h4-7H2,1-3H3

InChIKey

HQHRAGXKFOTSQE-UHFFFAOYSA-N

Compound name

tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 850
Patents: 211.12085 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]+	212.12813	142.5
[M+Na]+	234.11007	146.8
[M-H]-	210.11357	146.6
[M+NH4]+	229.15467	149.2
[M+K]+	250.08401	152.0
[M+H-H2O]+	194.11811	129.3
[M+HCOO]-	256.11905	157.5
[M+CH3COO]-	270.13470	197.4
[M+Na-2H]-	232.09552	146.8
[M]+	211.12030	159.4
[M]-	211.12140	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe