CID 29974196

748762-46-1

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

C1C[C@H](O[C@H]1CN)CN

InChI

InChI=1S/C6H14N2O/c7-3-5-1-2-6(4-8)9-5/h5-6H,1-4,7-8H2/t5-,6+

InChIKey

XEXIPRQHXNUUAA-OLQVQODUSA-N

Compound name

[(2R,5S)-5-(aminomethyl)oxolan-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 130.11061 Da
Monoisotopic Mass: -1.2
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]+	131.11789	127.6
[M+Na]+	153.09983	135.3
[M+NH4]+	148.14443	135.7
[M+K]+	169.07377	132.9
[M-H]-	129.10333	130.7
[M+Na-2H]-	151.08528	130.6
[M]+	130.11006	129.1
[M]-	130.11116	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe