CID 1133181

(s)-c-[1,4]dioxan-2-yl-methylamine

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1CO[C@H](CO1)CN

InChI

InChI=1S/C5H11NO2/c6-3-5-4-7-1-2-8-5/h5H,1-4,6H2/t5-/m0/s1

InChIKey

PREOONMJIVUPMI-YFKPBYRVSA-N

Compound name

[(2S)-1,4-dioxan-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 730
Patents: 117.07898 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]+	118.08626	122.8
[M+Na]+	140.06820	133.1
[M+NH4]+	135.11280	131.5
[M+K]+	156.04214	128.7
[M-H]-	116.07170	127.5
[M+Na-2H]-	138.05365	127.2
[M]+	117.07843	125.4
[M]-	117.07953	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe