CID 83815025

(2-methyl-1,4-dioxan-2-yl)methanamine

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CC1(COCCO1)CN

InChI

InChI=1S/C6H13NO2/c1-6(4-7)5-8-2-3-9-6/h2-5,7H2,1H3

InChIKey

MTRDYWVARZKFSD-UHFFFAOYSA-N

Compound name

(2-methyl-1,4-dioxan-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 131.09464 Da
Monoisotopic Mass: -1.0
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]+	132.101916	126.9
[M+Na]+	154.083858	132.5
[M-H]-	130.087364	130.9
[M+NH4]+	149.128463	147.4
[M+K]+	170.057798	134.7
[M+H-H2O]+	114.091900	122.0
[M+HCOO]-	176.092841	147.0
[M+CH3COO]-	190.108491	171.1
[M+Na-2H]-	152.069306	136.0
[M]+	131.09409142	124.1
[M]-	131.09518858	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe