CID 107766

Alpha-acetoxy-n-nitrosopyrrolidine

Structural Information

Molecular Formula

C₆H₁₀N₂O₃

SMILES

CC(=O)OC1CCCN1N=O

InChI

InChI=1S/C6H10N2O3/c1-5(9)11-6-3-2-4-8(6)7-10/h6H,2-4H2,1H3

InChIKey

PILGRLJFJJAIGO-UHFFFAOYSA-N

Compound name

(1-nitrosopyrrolidin-2-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 1
Patents: 158.06914 Da
Monoisotopic Mass: 0.7
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]+	159.07642	132.5
[M+Na]+	181.05836	140.9
[M+NH4]+	176.10296	139.3
[M+K]+	197.03230	138.9
[M-H]-	157.06186	132.3
[M+Na-2H]-	179.04381	135.9
[M]+	158.06859	133.1
[M]-	158.06969	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe