CID 64973844

Methyl 3-(methoxyamino)butanoate

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CC(CC(=O)OC)NOC

InChI

InChI=1S/C6H13NO3/c1-5(7-10-3)4-6(8)9-2/h5,7H,4H2,1-3H3

InChIKey

KJKSLJKIWKNZAK-UHFFFAOYSA-N

Compound name

methyl 3-(methoxyamino)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 147.08954 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]+	148.096816	131.3
[M+Na]+	170.078758	137.5
[M-H]-	146.082264	131.7
[M+NH4]+	165.123363	152.4
[M+K]+	186.052698	139.0
[M+H-H2O]+	130.086800	126.2
[M+HCOO]-	192.087741	155.1
[M+CH3COO]-	206.103391	178.1
[M+Na-2H]-	168.064206	136.1
[M]+	147.08899142	134.0
[M]-	147.09008858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.