CID 18316187

2344678-63-1

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

COC(=O)C1(CCCOC1)N

InChI

InChI=1S/C7H13NO3/c1-10-6(9)7(8)3-2-4-11-5-7/h2-5,8H2,1H3

InChIKey

RJIKNLGXPWRDKF-UHFFFAOYSA-N

Compound name

methyl 3-aminooxane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 159.08954 Da
Monoisotopic Mass: -0.6
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]+	160.09682	133.8
[M+Na]+	182.07876	142.6
[M+NH4]+	177.12336	142.7
[M+K]+	198.05270	137.1
[M-H]-	158.08226	136.1
[M+Na-2H]-	180.06421	138.8
[M]+	159.08899	135.5
[M]-	159.09009	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe