CID 67587524

2770353-48-3

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCN1C[C@H]([C@H](C1)O)O

InChI

InChI=1S/C6H13NO2/c1-2-7-3-5(8)6(9)4-7/h5-6,8-9H,2-4H2,1H3/t5-,6+

InChIKey

NJSDJKSVOXUBMF-OLQVQODUSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 131.09464 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]+	132.10192	127.3
[M+Na]+	154.08386	136.5
[M+NH4]+	149.12846	134.9
[M+K]+	170.05780	134.0
[M-H]-	130.08736	126.7
[M+Na-2H]-	152.06931	130.0
[M]+	131.09409	128.0
[M]-	131.09519	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe