CID 2760467

675602-62-7

Structural Information

Molecular Formula

C₁₀H₁₅NO₄

SMILES

C1CN(CCC1=O)C(=O)CCCC(=O)O

InChI

InChI=1S/C10H15NO4/c12-8-4-6-11(7-5-8)9(13)2-1-3-10(14)15/h1-7H2,(H,14,15)

InChIKey

BQPYFNZTQRPFCX-UHFFFAOYSA-N

Compound name

5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 213.10011 Da
Monoisotopic Mass: -1.0
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]+	214.107386	146.8
[M+Na]+	236.089328	151.4
[M-H]-	212.092834	146.7
[M+NH4]+	231.133933	162.9
[M+K]+	252.063268	150.2
[M+H-H2O]+	196.097370	140.3
[M+HCOO]-	258.098311	163.3
[M+CH3COO]-	272.113961	183.3
[M+Na-2H]-	234.074776	148.0
[M]+	213.09956142	144.1
[M]-	213.10065858	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe