CID 124787

92235-39-7

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₃

SMILES

CC(C)(C)OC(=O)N[C@H]1CCCNC1=O

InChI

InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-7-5-4-6-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1

InChIKey

SSBSATYPIISWFD-ZETCQYMHSA-N

Compound name

tert-butyl N-[(3S)-2-oxopiperidin-3-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 191
Patents: 214.13174 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]+	215.13902	149.7
[M+Na]+	237.12096	154.1
[M-H]-	213.12446	149.9
[M+NH4]+	232.16556	166.0
[M+K]+	253.09490	152.9
[M+H-H2O]+	197.12900	143.6
[M+HCOO]-	259.12994	166.3
[M+CH3COO]-	273.14559	185.2
[M+Na-2H]-	235.10641	153.2
[M]+	214.13119	145.5
[M]-	214.13229	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe