CID 53419961

1397243-43-4

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₃

SMILES

CC(C)(C)OC(=O)NCCN1CCC(=O)CC1

InChI

InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)13-6-9-14-7-4-10(15)5-8-14/h4-9H2,1-3H3,(H,13,16)

InChIKey

MUDQGIOQWIBILS-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(4-oxopiperidin-1-yl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 242.16304 Da
Monoisotopic Mass: 0.4
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]+	243.17032	158.1
[M+Na]+	265.15226	162.0
[M-H]-	241.15576	159.3
[M+NH4]+	260.19686	174.0
[M+K]+	281.12620	161.2
[M+H-H2O]+	225.16030	151.3
[M+HCOO]-	287.16124	175.5
[M+CH3COO]-	301.17689	193.7
[M+Na-2H]-	263.13771	161.1
[M]+	242.16249	156.5
[M]-	242.16359	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe