CID 5463803

4-aminobutyraldehyde dimethyl acetal

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

COC(CCCN)OC

InChI

InChI=1S/C6H15NO2/c1-8-6(9-2)4-3-5-7/h6H,3-5,7H2,1-2H3

InChIKey

TYVAXMOICMBSMT-UHFFFAOYSA-N

Compound name

4,4-dimethoxybutan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 661
Patents: 133.11028 Da
Monoisotopic Mass: -0.1
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]+	134.117556	129.9
[M+Na]+	156.099498	136.0
[M-H]-	132.103004	129.6
[M+NH4]+	151.144103	151.4
[M+K]+	172.073438	136.7
[M+H-H2O]+	116.107540	124.8
[M+HCOO]-	178.108481	153.6
[M+CH3COO]-	192.124131	176.1
[M+Na-2H]-	154.084946	134.8
[M]+	133.10973142	131.6
[M]-	133.11082858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe