CID 55289338

(3r,5r)-5-(aminomethyl)pyrrolidin-3-ol

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

C1[C@H](CN[C@@H]1CN)O

InChI

InChI=1S/C5H12N2O/c6-2-4-1-5(8)3-7-4/h4-5,7-8H,1-3,6H2/t4-,5+/m0/s1

InChIKey

VPKJBJVGUAQJOS-CRCLSJGQSA-N

Compound name

(3R,5S)-5-(aminomethyl)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 116.09496 Da
Monoisotopic Mass: -1.6
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]+	117.10224	123.5
[M+Na]+	139.08418	131.3
[M+NH4]+	134.12878	131.1
[M+K]+	155.05812	129.1
[M-H]-	115.08768	123.4
[M+Na-2H]-	137.06963	126.4
[M]+	116.09441	124.0
[M]-	116.09551	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe