CID 20164482

Schembl11185123

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CC(CNC)(OC)OC

InChI

InChI=1S/C6H15NO2/c1-6(8-3,9-4)5-7-2/h7H,5H2,1-4H3

InChIKey

XNVKRPPKYQIIEP-UHFFFAOYSA-N

Compound name

2,2-dimethoxy-N-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 133.11028 Da
Monoisotopic Mass: -0.2
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]+	134.11756	128.9
[M+Na]+	156.09950	135.7
[M-H]-	132.10300	129.4
[M+NH4]+	151.14410	150.8
[M+K]+	172.07344	136.7
[M+H-H2O]+	116.10754	124.5
[M+HCOO]-	178.10848	152.6
[M+CH3COO]-	192.12413	176.3
[M+Na-2H]-	154.08495	136.8
[M]+	133.10973	131.8
[M]-	133.11083	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe