CID 541754

2-methylaminomethyl-1,3-dioxolane

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CNCC1OCCO1

InChI

InChI=1S/C5H11NO2/c1-6-4-5-7-2-3-8-5/h5-6H,2-4H2,1H3

InChIKey

ZCCPVTVGEQLONB-UHFFFAOYSA-N

Compound name

1-(1,3-dioxolan-2-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 495
Patents: 117.07898 Da
Monoisotopic Mass: -0.6
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	122.7
[M+Na]+	140.06820	132.1
[M+NH4]+	135.11280	131.3
[M+K]+	156.04214	129.7
[M-H]-	116.07170	126.8
[M+Na-2H]-	138.05365	126.6
[M]+	117.07843	124.9
[M]-	117.07953	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe