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: 267
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]+	131.11789	127.4
[M+Na]+	153.09983	132.2
[M-H]-	129.10333	130.1
[M+NH4]+	148.14443	148.7
[M+K]+	169.07377	132.5
[M+H-H2O]+	113.10787	122.2
[M+HCOO]-	175.10881	148.6
[M+CH3COO]-	189.12446	173.3
[M+Na-2H]-	151.08528	134.7
[M]+	130.11006	120.7
[M]-	130.11116	120.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe