CID 58007276

960289-61-6

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

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

InChI

InChI=1S/C6H14N2O/c1-8(2)5-3-7-4-6(5)9/h5-7,9H,3-4H2,1-2H3/t5-,6-/m1/s1

InChIKey

CLMZWVXBYNBYDL-PHDIDXHHSA-N

Compound name

(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 130.11061 Da
Monoisotopic Mass: -0.9
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]+	131.117886	128.7
[M+Na]+	153.099828	134.5
[M-H]-	129.103334	129.4
[M+NH4]+	148.144433	150.2
[M+K]+	169.073768	134.0
[M+H-H2O]+	113.107870	122.8
[M+HCOO]-	175.108811	149.4
[M+CH3COO]-	189.124461	171.9
[M+Na-2H]-	151.085276	132.0
[M]+	130.11006142	124.3
[M]-	130.11115858	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe