CID 87920

3,3-dimethoxybutan-1-amine

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CC(CCN)(OC)OC

InChI

InChI=1S/C6H15NO2/c1-6(8-2,9-3)4-5-7/h4-5,7H2,1-3H3

InChIKey

XOCHQQQPVSQATN-UHFFFAOYSA-N

Compound name

3,3-dimethoxybutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 133.11028 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]+	134.117556	129.3
[M+Na]+	156.099498	136.1
[M-H]-	132.103004	129.3
[M+NH4]+	151.144103	151.0
[M+K]+	172.073438	136.8
[M+H-H2O]+	116.107540	124.9
[M+HCOO]-	178.108481	152.4
[M+CH3COO]-	192.124131	175.6
[M+Na-2H]-	154.084946	136.2
[M]+	133.10973142	131.2
[M]-	133.11082858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe