CID 118798187

1638768-88-3

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

COC1(CCC1CN)OC

InChI

InChI=1S/C7H15NO2/c1-9-7(10-2)4-3-6(7)5-8/h6H,3-5,8H2,1-2H3

InChIKey

MKADXYVJQYPTHH-UHFFFAOYSA-N

Compound name

(2,2-dimethoxycyclobutyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 145.11028 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]+	146.11756	130.8
[M+Na]+	168.09950	136.5
[M-H]-	144.10300	134.1
[M+NH4]+	163.14410	147.3
[M+K]+	184.07344	139.6
[M+H-H2O]+	128.10754	121.5
[M+HCOO]-	190.10848	153.2
[M+CH3COO]-	204.12413	180.4
[M+Na-2H]-	166.08495	136.5
[M]+	145.10973	139.8
[M]-	145.11083	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.