CID 6455187

2-pyrrolidinol, 1-nitroso-

Structural Information

Molecular Formula

C₄H₈N₂O₂

SMILES

C1CC(N(C1)N=O)O

InChI

InChI=1S/C4H8N2O2/c7-4-2-1-3-6(4)5-8/h4,7H,1-3H2

InChIKey

KCYALJYRNPZWCX-UHFFFAOYSA-N

Compound name

1-nitrosopyrrolidin-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 116.05858 Da
Monoisotopic Mass: 0.0
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]+	117.065856	119.6
[M+Na]+	139.047798	127.2
[M-H]-	115.051304	121.9
[M+NH4]+	134.092403	142.2
[M+K]+	155.021738	127.5
[M+H-H2O]+	99.055840	113.7
[M+HCOO]-	161.056781	143.9
[M+CH3COO]-	175.072431	168.7
[M+Na-2H]-	137.033246	125.8
[M]+	116.05803142	117.7
[M]-	116.05912858	117.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.