CID 57412438

2,4,4-trimethoxybutan-1-amine

Structural Information

Molecular Formula

C₇H₁₇NO₃

SMILES

COC(CC(OC)OC)CN

InChI

InChI=1S/C7H17NO3/c1-9-6(5-8)4-7(10-2)11-3/h6-7H,4-5,8H2,1-3H3

InChIKey

LRPLRCNAFFDJHA-UHFFFAOYSA-N

Compound name

2,4,4-trimethoxybutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 163.12085 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]+	164.12813	136.1
[M+Na]+	186.11007	143.8
[M+NH4]+	181.15467	142.7
[M+K]+	202.08401	140.5
[M-H]-	162.11357	134.8
[M+Na-2H]-	184.09552	138.1
[M]+	163.12030	136.4
[M]-	163.12140	136.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.