CID 22145177

1,1-dimethoxybutan-2-amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CCC(C(OC)OC)N

InChI

InChI=1S/C6H15NO2/c1-4-5(7)6(8-2)9-3/h5-6H,4,7H2,1-3H3

InChIKey

GFUOIQFPJDKRCI-UHFFFAOYSA-N

Compound name

1,1-dimethoxybutan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 172
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]+	134.11756	130.5
[M+Na]+	156.09950	136.4
[M-H]-	132.10300	130.3
[M+NH4]+	151.14410	151.9
[M+K]+	172.07344	137.6
[M+H-H2O]+	116.10754	125.5
[M+HCOO]-	178.10848	153.2
[M+CH3COO]-	192.12413	177.0
[M+Na-2H]-	154.08495	134.1
[M]+	133.10973	131.5
[M]-	133.11083	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe