CID 85988

N-nitrosoproline ethyl ester

Structural Information

Molecular Formula

C₇H₁₂N₂O₃

SMILES

CCOC(=O)C1CCCN1N=O

InChI

InChI=1S/C7H12N2O3/c1-2-12-7(10)6-4-3-5-9(6)8-11/h6H,2-5H2,1H3

InChIKey

CPURSCKAPPWVBT-UHFFFAOYSA-N

Compound name

ethyl 1-nitrosopyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 172.0848 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]+	173.092076	134.8
[M+Na]+	195.074018	141.6
[M-H]-	171.077524	138.2
[M+NH4]+	190.118623	155.8
[M+K]+	211.047958	142.4
[M+H-H2O]+	155.082060	128.2
[M+HCOO]-	217.083001	159.1
[M+CH3COO]-	231.098651	181.8
[M+Na-2H]-	193.059466	138.8
[M]+	172.08425142	136.0
[M]-	172.08534858	136.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.