CID 45789993

2091327-62-5

Structural Information

Molecular Formula

SMILES

COCC1CC(C1)N

InChI

InChI=1S/C6H13NO/c1-8-4-5-2-6(7)3-5/h5-6H,2-4,7H2,1H3

InChIKey

ODSCCLNDZCWOMZ-UHFFFAOYSA-N

Compound name

3-(methoxymethyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 115.09972 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]+	116.106996	122.6
[M+Na]+	138.088938	128.1
[M-H]-	114.092444	125.8
[M+NH4]+	133.133543	138.4
[M+K]+	154.062878	131.0
[M+H-H2O]+	98.096980	112.5
[M+HCOO]-	160.097921	145.2
[M+CH3COO]-	174.113571	175.9
[M+Na-2H]-	136.074386	127.9
[M]+	115.09917142	129.6
[M]-	115.10026858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe