CID 43608727

50289-16-2

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

C1COCCC1(CN)N

InChI

InChI=1S/C6H14N2O/c7-5-6(8)1-3-9-4-2-6/h1-5,7-8H2

InChIKey

QASGCEYWUQMUCV-UHFFFAOYSA-N

Compound name

4-(aminomethyl)oxan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 215
Patents: 130.11061 Da
Monoisotopic Mass: -1.4
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	127.4
[M+Na]+	153.099828	132.2
[M-H]-	129.103334	130.1
[M+NH4]+	148.144433	148.7
[M+K]+	169.073768	132.5
[M+H-H2O]+	113.107870	122.2
[M+HCOO]-	175.108811	148.6
[M+CH3COO]-	189.124461	173.3
[M+Na-2H]-	151.085276	134.7
[M]+	130.11006142	120.7
[M]-	130.11115858	120.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe