CID 3034827

N-nitroso-3-hydroxypyrrolidine

Structural Information

Molecular Formula

C₄H₈N₂O₂

SMILES

C1CN(CC1O)N=O

InChI

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

InChIKey

XDZKGLWJXJTZJZ-UHFFFAOYSA-N

Compound name

1-nitrosopyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 2
Patents: 116.05858 Da
Monoisotopic Mass: -0.8
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]+	117.06586	119.6
[M+Na]+	139.04780	127.2
[M-H]-	115.05130	121.9
[M+NH4]+	134.09240	142.2
[M+K]+	155.02174	127.5
[M+H-H2O]+	99.055840	113.7
[M+HCOO]-	161.05678	143.9
[M+CH3COO]-	175.07243	168.7
[M+Na-2H]-	137.03325	125.8
[M]+	116.05803	117.7
[M]-	116.05913	117.7

Literature stripe

literature stripe

Patent stripe

patents stripe