CID 54499564

1-(1,4-dioxan-2-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CC(C1COCCO1)N

InChI

InChI=1S/C6H13NO2/c1-5(7)6-4-8-2-3-9-6/h5-6H,2-4,7H2,1H3

InChIKey

YBMCUQGJDWTFOO-UHFFFAOYSA-N

Compound name

1-(1,4-dioxan-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 131.09464 Da
Monoisotopic Mass: -0.7
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]+	132.10192	128.8
[M+Na]+	154.08386	133.3
[M-H]-	130.08736	132.5
[M+NH4]+	149.12846	147.2
[M+K]+	170.05780	135.6
[M+H-H2O]+	114.09190	123.1
[M+HCOO]-	176.09284	147.9
[M+CH3COO]-	190.10849	172.5
[M+Na-2H]-	152.06931	135.4
[M]+	131.09409	125.0
[M]-	131.09519	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe