CID 146198

90481-32-6

Structural Information

Molecular Formula

SMILES

C1[C@@H]([C@H](CN1)O)O

InChI

InChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2/t3-,4-/m0/s1

InChIKey

JCZPOYAMKJFOLA-IMJSIDKUSA-N

Compound name

(3S,4S)-pyrrolidine-3,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 5780
Patents: 103.06333 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]+	104.070606	119.9
[M+Na]+	126.052548	126.9
[M-H]-	102.056054	118.1
[M+NH4]+	121.097153	141.4
[M+K]+	142.026488	125.1
[M+H-H2O]+	86.060590	115.1
[M+HCOO]-	148.061531	138.5
[M+CH3COO]-	162.077181	157.0
[M+Na-2H]-	124.037996	124.2
[M]+	103.06278142	113.9
[M]-	103.06387858	113.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.