CID 1335

2-(hydroxymethyl)pyrrolidine-3,4-diol

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

C1C(C(C(N1)CO)O)O

InChI

InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2

InChIKey

OQEBIHBLFRADNM-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)pyrrolidine-3,4-diol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 122
References: 888
Patents: 133.0739 Da
Monoisotopic Mass: -1.7
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]+	134.08118	127.6
[M+Na]+	156.06312	134.5
[M-H]-	132.06662	124.5
[M+NH4]+	151.10772	147.3
[M+K]+	172.03706	132.0
[M+H-H2O]+	116.07116	122.9
[M+HCOO]-	178.07210	144.4
[M+CH3COO]-	192.08775	161.0
[M+Na-2H]-	154.04857	130.1
[M]+	133.07335	121.8
[M]-	133.07445	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe