CID 853398

4388-98-1

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CC1(OCCO1)CNC

InChI

InChI=1S/C6H13NO2/c1-6(5-7-2)8-3-4-9-6/h7H,3-5H2,1-2H3

InChIKey

GIAIOMKHJFFNRD-UHFFFAOYSA-N

Compound name

N-methyl-1-(2-methyl-1,3-dioxolan-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 131.09464 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]+	132.101916	125.6
[M+Na]+	154.083858	132.0
[M-H]-	130.087364	130.1
[M+NH4]+	149.128463	148.2
[M+K]+	170.057798	134.4
[M+H-H2O]+	114.091900	121.3
[M+HCOO]-	176.092841	148.4
[M+CH3COO]-	190.108491	171.5
[M+Na-2H]-	152.069306	134.6
[M]+	131.09409142	125.7
[M]-	131.09518858	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe