CID 122432208

Ethyl 1-nitrosopiperidine-4-carboxylate

Structural Information

Molecular Formula

C₈H₁₄N₂O₃

SMILES

CCOC(=O)C1CCN(CC1)N=O

InChI

InChI=1S/C8H14N2O3/c1-2-13-8(11)7-3-5-10(9-12)6-4-7/h7H,2-6H2,1H3

InChIKey

AOQMXLKHSHYICM-UHFFFAOYSA-N

Compound name

ethyl 1-nitrosopiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 186.10045 Da
Monoisotopic Mass: 0.9
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]+	187.10773	140.3
[M+Na]+	209.08967	149.5
[M+NH4]+	204.13427	147.1
[M+K]+	225.06361	144.9
[M-H]-	185.09317	140.9
[M+Na-2H]-	207.07512	144.2
[M]+	186.09990	141.3
[M]-	186.10100	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe