CID 22866750

2742623-66-9

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CN1C[C@H]([C@H](C1)O)O

InChI

InChI=1S/C5H11NO2/c1-6-2-4(7)5(8)3-6/h4-5,7-8H,2-3H2,1H3/t4-,5+

InChIKey

VJSWVPMFOHDBHG-SYDPRGILSA-N

Compound name

(3S,4R)-1-methylpyrrolidine-3,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 117.07898 Da
Monoisotopic Mass: -1.2
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]+	118.08626	123.1
[M+Na]+	140.06820	131.0
[M-H]-	116.07170	122.9
[M+NH4]+	135.11280	145.1
[M+K]+	156.04214	129.9
[M+H-H2O]+	100.07624	118.3
[M+HCOO]-	162.07718	142.9
[M+CH3COO]-	176.09283	163.7
[M+Na-2H]-	138.05365	126.7
[M]+	117.07843	119.7
[M]-	117.07953	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe