CID 8503

122-07-6

Structural Information

Molecular Formula

C₅H₁₃NO₂

SMILES

CNCC(OC)OC

InChI

InChI=1S/C5H13NO2/c1-6-4-5(7-2)8-3/h5-6H,4H2,1-3H3

InChIKey

HUMIEJNVCICTPJ-UHFFFAOYSA-N

Compound name

2,2-dimethoxy-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1362
Patents: 119.09463 Da
Monoisotopic Mass: -0.3
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]+	120.10191	124.8
[M+Na]+	142.08385	131.3
[M-H]-	118.08735	125.2
[M+NH4]+	137.12845	147.1
[M+K]+	158.05779	132.7
[M+H-H2O]+	102.09189	119.9
[M+HCOO]-	164.09283	149.4
[M+CH3COO]-	178.10848	173.7
[M+Na-2H]-	140.06930	131.3
[M]+	119.09408	127.1
[M]-	119.09518	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe