CID 16726851

Cis-pyrrolidine-3,4-diyldimethanol

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

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

InChI

InChI=1S/C6H13NO2/c8-3-5-1-7-2-6(5)4-9/h5-9H,1-4H2/t5-,6+

InChIKey

ZRERAZQFEFFXSJ-OLQVQODUSA-N

Compound name

[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 131.09464 Da
Monoisotopic Mass: -1.3
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	128.1
[M+Na]+	154.08386	136.2
[M+NH4]+	149.12846	135.2
[M+K]+	170.05780	133.9
[M-H]-	130.08736	126.8
[M+Na-2H]-	152.06931	130.3
[M]+	131.09409	128.4
[M]-	131.09519	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe