CID 121606

Methyl 4-oxopiperidine-1-carboxylate

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

COC(=O)N1CCC(=O)CC1

InChI

InChI=1S/C7H11NO3/c1-11-7(10)8-4-2-6(9)3-5-8/h2-5H2,1H3

InChIKey

HOEOMWYFJBSYSF-UHFFFAOYSA-N

Compound name

methyl 4-oxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 150
Patents: 157.0739 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]+	158.081176	131.3
[M+Na]+	180.063118	137.8
[M-H]-	156.066624	133.2
[M+NH4]+	175.107723	150.8
[M+K]+	196.037058	137.9
[M+H-H2O]+	140.071160	125.2
[M+HCOO]-	202.072101	151.0
[M+CH3COO]-	216.087751	174.0
[M+Na-2H]-	178.048566	135.8
[M]+	157.07335142	129.3
[M]-	157.07444858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe