CID 65959735

N-(oxan-4-yl)azetidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

C1COCCC1NC2CNC2

InChI

InChI=1S/C8H16N2O/c1-3-11-4-2-7(1)10-8-5-9-6-8/h7-10H,1-6H2

InChIKey

PAXGUVRGBMCJIR-UHFFFAOYSA-N

Compound name

N-(oxan-4-yl)azetidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 156.12627 Da
Monoisotopic Mass: -0.4
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]+	157.133546	130.1
[M+Na]+	179.115488	131.9
[M-H]-	155.118994	133.2
[M+NH4]+	174.160093	140.3
[M+K]+	195.089428	134.6
[M+H-H2O]+	139.123530	117.6
[M+HCOO]-	201.124471	146.5
[M+CH3COO]-	215.140121	178.0
[M+Na-2H]-	177.100936	136.4
[M]+	156.12572142	131.2
[M]-	156.12681858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe