CID 118798137

3,3-dimethoxycyclobutan-1-amine

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

COC1(CC(C1)N)OC

InChI

InChI=1S/C6H13NO2/c1-8-6(9-2)3-5(7)4-6/h5H,3-4,7H2,1-2H3

InChIKey

HAJXGHDIJFLEPV-UHFFFAOYSA-N

Compound name

3,3-dimethoxycyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 131.09464 Da
Monoisotopic Mass: -0.5
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]+	132.10192	126.1
[M+Na]+	154.08386	132.3
[M-H]-	130.08736	129.6
[M+NH4]+	149.12846	143.2
[M+K]+	170.05780	135.6
[M+H-H2O]+	114.09190	117.1
[M+HCOO]-	176.09284	148.9
[M+CH3COO]-	190.10849	177.5
[M+Na-2H]-	152.06931	132.4
[M]+	131.09409	134.8
[M]-	131.09519	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.