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

2
Annotation Hits: 11
References: 2
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]+	159.076416	130.2
[M+Na]+	181.058358	137.3
[M-H]-	157.061864	133.7
[M+NH4]+	176.102963	151.7
[M+K]+	197.032298	138.4
[M+H-H2O]+	141.066400	123.7
[M+HCOO]-	203.067341	154.8
[M+CH3COO]-	217.082991	178.8
[M+Na-2H]-	179.043806	134.7
[M]+	158.06859142	131.0
[M]-	158.06968858	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe