CID 57931757

2095411-03-1

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CN1CCCC(C1=O)C(=O)O

InChI

InChI=1S/C7H11NO3/c1-8-4-2-3-5(6(8)9)7(10)11/h5H,2-4H2,1H3,(H,10,11)

InChIKey

AAMWBMZCAOJKJU-UHFFFAOYSA-N

Compound name

1-methyl-2-oxopiperidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 157.0739 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]+	158.08118	131.1
[M+Na]+	180.06312	138.0
[M-H]-	156.06662	131.9
[M+NH4]+	175.10772	150.1
[M+K]+	196.03706	137.1
[M+H-H2O]+	140.07116	125.6
[M+HCOO]-	202.07210	149.3
[M+CH3COO]-	216.08775	173.9
[M+Na-2H]-	178.04857	134.4
[M]+	157.07335	127.8
[M]-	157.07445	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe