CID 1232

Ha-966

Structural Information

Molecular Formula

C₄H₈N₂O₂

SMILES

C1CN(C(=O)C1N)O

InChI

InChI=1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2

InChIKey

HCKUBNLZMKAEIN-UHFFFAOYSA-N

Compound name

3-amino-1-hydroxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 209
References: 448
Patents: 116.05858 Da
Monoisotopic Mass: -1.5
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	120.6
[M+Na]+	139.04780	128.7
[M-H]-	115.05130	121.4
[M+NH4]+	134.09240	142.6
[M+K]+	155.02174	127.7
[M+H-H2O]+	99.055840	115.3
[M+HCOO]-	161.05678	142.8
[M+CH3COO]-	175.07243	166.7
[M+Na-2H]-	137.03325	124.6
[M]+	116.05803	116.2
[M]-	116.05913	116.2

Literature stripe

literature stripe

Patent stripe

patents stripe