CID 3470698

702670-21-1

Structural Information

Molecular Formula

C₉H₁₆N₂O₃

SMILES

CN(C)C(=O)N1CCCC(C1)C(=O)O

InChI

InChI=1S/C9H16N2O3/c1-10(2)9(14)11-5-3-4-7(6-11)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)

InChIKey

BKBIGCHIMUUAID-UHFFFAOYSA-N

Compound name

1-(dimethylcarbamoyl)piperidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 200.11609 Da
Monoisotopic Mass: -0.2
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]+	201.12337	144.6
[M+Na]+	223.10531	148.8
[M-H]-	199.10881	146.2
[M+NH4]+	218.14991	161.8
[M+K]+	239.07925	149.3
[M+H-H2O]+	183.11335	137.9
[M+HCOO]-	245.11429	162.6
[M+CH3COO]-	259.12994	186.9
[M+Na-2H]-	221.09076	145.9
[M]+	200.11554	141.2
[M]-	200.11664	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe