CID 11309526

(3r,4s)-4-(dimethylamino)tetrahydrofuran-3-ol

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CN(C)[C@H]1COC[C@@H]1O

InChI

InChI=1S/C6H13NO2/c1-7(2)5-3-9-4-6(5)8/h5-6,8H,3-4H2,1-2H3/t5-,6-/m0/s1

InChIKey

AGZUJWAKYFHDAV-WDSKDSINSA-N

Compound name

(3R,4S)-4-(dimethylamino)oxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 131.09464 Da
Monoisotopic Mass: -0.7
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]+	132.10192	127.0
[M+Na]+	154.08386	133.3
[M-H]-	130.08736	131.2
[M+NH4]+	149.12846	149.2
[M+K]+	170.05780	135.0
[M+H-H2O]+	114.09190	122.0
[M+HCOO]-	176.09284	149.8
[M+CH3COO]-	190.10849	173.8
[M+Na-2H]-	152.06931	131.9
[M]+	131.09409	126.0
[M]-	131.09519	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe